methyl 2-[[4-azanyl-2-(phenylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-azanyl-2-(phenylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-amino-2-benzyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-amino-2-(phenylmethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-2-benzylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-amino-2-benzyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O3S/c1-25-20(24)18(10-11-26-2)22-19(23)17-9-8-16(21)13-15(17)12-14-6-4-3-5-7-14/h3-9,13,18H,10-12,21H2,1-2H3,(H,22,23)