S-[3-oxidanylidene-3-[[(4S)-2-oxidanylideneazepan-4-yl]amino]-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-3-[[(4S)-2-oxidanylideneazepan-4-yl]amino]-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-oxo-3-[[(4S)-2-oxoazepan-4-yl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-3-[[(4S)-2-oxo-4-azepanyl]amino]-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-oxo-3-[[(4S)-2-oxoazepan-4-yl]amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-[[(4S)-2-ketoazepan-4-yl]amino]propyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N[C@H]2CCCNC(=O)C2

InChI

InChI=1S/C18H24N2O3S/c1-13(21)24-12-15(10-14-6-3-2-4-7-14)18(23)20-16-8-5-9-19-17(22)11-16/h2-4,6-7,15-16H,5,8-12H2,1H3,(H,19,22)(H,20,23)/t15?,16-/m0/s1