ethyl 2-[[3-methyl-2-[phenylcarbonyl-(phenylmethyl)amino]butanethioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-methyl-2-[phenylcarbonyl-(phenylmethyl)amino]butanethioyl]amino]ethanoate Openeye Name: ethyl 2-[[2-[benzoyl(benzyl)amino]-3-methyl-butanethioyl]amino]acetate CAS Name: 2-[[2-[benzoyl-(phenylmethyl)amino]-3-methyl-1-sulfanylidenebutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[benzoyl(benzyl)amino]-3-methylbutanethioyl]amino]acetate Traditional Name: 2-[[2-[benzoyl(benzyl)amino]-3-methyl-butanethioyl]amino]acetic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)C(C(C)C)N(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=S)C(C(C)C)N(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O3S/c1-4-28-20(26)15-24-22(29)21(17(2)3)25(16-18-11-7-5-8-12-18)23(27)19-13-9-6-10-14-19/h5-14,17,21H,4,15-16H2,1-3H3,(H,24,29)