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

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S2/c1-14-13-17(20(24)25-2)19(27-14)23-21(26)22-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H2,22,23,26)