methyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC=C1C(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C18H21N3O3S3/c1-9-10(2)26-8-12(9)15(22)20-21-18(25)19-16-14(17(23)24-3)11-6-4-5-7-13(11)27-16/h8H,4-7H2,1-3H3,(H,20,22)(H2,19,21,25)