methyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O3S3 MolecularWeight: 445.57816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S3/c1-11-12(2)28-10-15(11)17(24)22-23-20(27)21-18-14(19(25)26-3)9-16(29-18)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,22,24)(H2,21,23,27)