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

Systemtic Name: S-[3-oxidanylidene-3-[[(3S)-2-oxidanylideneazepan-3-yl]amino]-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-oxo-3-[[(3S)-2-oxoazepan-3-yl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-3-[[(3S)-2-oxo-3-azepanyl]amino]-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-oxo-3-[[(3S)-2-oxoazepan-3-yl]amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-[[(3S)-2-ketoazepan-3-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)NC2CCCCNC2=O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N[C@H]2CCCCNC2=O

InChI

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