methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]butanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OC)SC3=CC=CC(=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OC)SC3=CC=CC(=C3)N

InChI

InChI=1S/C24H25N3O4S2/c1-4-18(32-17-12-8-9-15(25)13-17)21(28)27-23-19(24(30)31-3)14(2)20(33-23)22(29)26-16-10-6-5-7-11-16/h5-13,18H,4,25H2,1-3H3,(H,26,29)(H,27,28)