17271409
  -OEChem-05112411162D

 55 58  0     0  0  0  0  0  0999 V2000
    5.9422   -1.0480    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4026   -1.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
17271409

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
639

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/AAAHgQQAAAADAzF3ga/1/PJlAisAzV3dACC+Kl1KjgJ2bU+7NiNJ/Lk/ZuEMSpt1xfK6ae6/N7OoAABCAACQABAAAIQAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-allyl-N-[4-(1H-indol-3-yl)thiazol-2-yl]-3,4,5-trimethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(1H-indol-3-yl)-2-thiazolyl]-3,4,5-trimethoxy-N-prop-2-enylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(1<I>H</I>-indol-3-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-<I>N</I>-prop-2-enylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-prop-2-enylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-prop-2-enyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-allyl-N-[4-(1H-indol-3-yl)thiazol-2-yl]-3,4,5-trimethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O4S/c1-5-10-27(23(28)15-11-20(29-2)22(31-4)21(12-15)30-3)24-26-19(14-32-24)17-13-25-18-9-7-6-8-16(17)18/h5-9,11-14,25H,1,10H2,2-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
HOFWDMGUUBNFKN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
449.14092740

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
449.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N(CC=C)C2=NC(=CS2)C3=CNC4=CC=CC=C43

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N(CC=C)C2=NC(=CS2)C3=CNC4=CC=CC=C43

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
449.14092740

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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  14  8
1  20  8
10  11  8
10  15  8
11  16  8
12  20  8
15  21  8
16  22  8
17  23  8
17  24  8
21  22  8
23  26  8
24  25  8
25  27  8
26  27  8
6  11  8
6  13  8
8  12  8
8  14  8
9  10  8
9  13  8

$$$$