methyl 4-(2-methylpropyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-methylpropyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(benzylcarbamothioylamino)-4-isobutyl-thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-4-isobutyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S2/c1-12(2)9-14-11-24-16(15(14)17(21)22-3)20-18(23)19-10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,23)