S-[4-methyl-2-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]pentyl] ethanethioate

Systemtic Name: S-[4-methyl-2-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]pentyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-oxo-2-(phenethylamino)ethyl]carbamoyl]-4-methyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[4-methyl-2-[oxo-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]methyl]pentyl] ester IUPAC Name: S-[4-methyl-2-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]carbamoyl]pentyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(phenethylamino)ethyl]carbamoyl]-4-methyl-pentyl] ester Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O3S/c1-19(2)16-23(18-32-20(3)29)25(30)28-24(17-22-12-8-5-9-13-22)26(31)27-15-14-21-10-6-4-7-11-21/h4-13,19,23-24H,14-18H2,1-3H3,(H,27,31)(H,28,30)