methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC)SC3=CC=CC(=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC)SC3=CC=CC(=C3)N

InChI

InChI=1S/C23H24N2O3S2/c1-4-19(30-17-7-5-6-16(24)12-17)21(26)25-22-20(23(27)28-3)18(13-29-22)15-10-8-14(2)9-11-15/h5-13,19H,4,24H2,1-3H3,(H,25,26)