5927555
  -OEChem-05102400412D

 36 37  0     0  0  0  0  0  0999 V2000
    2.9230    0.6980    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.6491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    3.4762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    2.4581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    3.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523    4.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333    2.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3005   -0.2006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0818    0.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6837    0.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    3.8733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0187    4.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    4.9561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    4.6419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1317    2.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977    2.1656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1349    3.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5927555

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
355

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzoABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQQAAAACAiB1gQz0ZPIEAisASVzdACC8KllCjgJmBU4ZMiIIDrg0ZGEIYhglALIyWcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(Z)-dimethylaminomethyleneamino]-4-methyl-N-phenyl-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(Z)-dimethylaminomethylideneamino]-4-methyl-N-phenyl-5-thiazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(<I>Z</I>)-dimethylaminomethylideneamino]-4-methyl-<I>N</I>-phenyl-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-[(Z)-dimethylaminomethylideneamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(Z)-dimethylaminomethylideneamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(Z)-dimethylaminomethyleneamino]-4-methyl-N-phenyl-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)/b15-9-

> <PUBCHEM_IUPAC_INCHIKEY>
YUCOSNPWCIXKKP-DHDCSXOGSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
288.10448232

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N4OS

> <PUBCHEM_MOLECULAR_WEIGHT>
288.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(SC(=N1)N=CN(C)C)C(=O)NC2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(SC(=N1)/N=C\N(C)C)C(=O)NC2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
85.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.10448232

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  7  8
10  13  8
10  14  8
13  15  8
14  16  8
15  18  8
16  18  8
4  11  8
4  8  8
7  8  8

$$$$