methyl 2-[1-(4-methylphenyl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-methylphenyl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[1-(p-tolyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(p-tolyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O2S2/c1-4-21(18-12-10-16(2)11-13-18)25-24(29)26-22-20(23(27)28-3)15-19(30-22)14-17-8-6-5-7-9-17/h5-13,15,21H,4,14H2,1-3H3,(H2,25,26,29)