methyl 2-[(diphenylmethyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O2S2/c1-14-15(2)28-20(18(14)21(25)26-3)24-22(27)23-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,1-3H3,(H2,23,24,27)