17373256
  -OEChem-05112411212D

 29 30  0     0  0  0  0  0  0999 V2000
    5.6859    0.9909    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -3.0479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -0.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    0.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -0.0091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    2.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6859    2.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1859    3.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    2.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7935    2.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685    3.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    4.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7109    4.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2829    2.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169    1.3009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -0.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -1.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865   -1.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -3.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -4.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -4.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17373256

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
294

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIABgAAAAAAAAAAAAGAAAASAAAAAAAAAAAAAAAAABgAAAHgQYAAAADCjF2ASzAYLiAAiMAiFSEACDAIAkCBtWqJkIBMiIIDKglRGEAQBwkAIoiYYYAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclopropyl-3-[(5-methylthiophene-3-carbonyl)amino]thiourea

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclopropyl-3-[[(5-methyl-3-thiophenyl)-oxomethyl]amino]thiourea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-cyclopropyl-3-[(5-methylthiophene-3-carbonyl)amino]thiourea

> <PUBCHEM_IUPAC_NAME>
1-cyclopropyl-3-[(5-methylthiophene-3-carbonyl)amino]thiourea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-cyclopropyl-3-[(5-methylthiophen-3-yl)carbonylamino]thiourea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-cyclopropyl-3-[(5-methylthiophene-3-carbonyl)amino]thiourea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N3OS2/c1-6-4-7(5-16-6)9(14)12-13-10(15)11-8-2-3-8/h4-5,8H,2-3H2,1H3,(H,12,14)(H2,11,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
POEBBVAZFAEQKG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
255.05000439

> <PUBCHEM_MOLECULAR_FORMULA>
C10H13N3OS2

> <PUBCHEM_MOLECULAR_WEIGHT>
255.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CS1)C(=O)NNC(=S)NC2CC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CS1)C(=O)NNC(=S)NC2CC2

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.05000439

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
11  13  8
11  15  8
13  14  8
2  14  8
2  15  8

$$$$