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

Systemtic Name: ethyl 2-[[3,3-dimethyl-2-[phenylcarbonyl-(phenylmethyl)amino]butanethioyl]amino]ethanoate Openeye Name: ethyl 2-[[2-[benzoyl(benzyl)amino]-3,3-dimethyl-butanethioyl]amino]acetate CAS Name: 2-[[2-[benzoyl-(phenylmethyl)amino]-3,3-dimethyl-1-sulfanylidenebutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[benzoyl(benzyl)amino]-3,3-dimethylbutanethioyl]amino]acetate Traditional Name: 2-[[2-[benzoyl(benzyl)amino]-3,3-dimethyl-butanethioyl]amino]acetic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H30N2O3S/c1-5-29-20(27)16-25-22(30)21(24(2,3)4)26(17-18-12-8-6-9-13-18)23(28)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3,(H,25,30)