S-[3-oxidanylidene-3-[(7-oxidanylideneazepan-2-yl)amino]-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-3-[(7-oxidanylideneazepan-2-yl)amino]-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-oxo-3-[(7-oxoazepan-2-yl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-3-[(7-oxo-2-azepanyl)amino]-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-oxo-3-[(7-oxoazepan-2-yl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-[(7-ketoazepan-2-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)NC2CCCCC(=O)N2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2CCCCC(=O)N2

InChI

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