O-propan-2-yl [2-oxidanylidene-2-[(2-oxidanylideneazepan-3-yl)amino]ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-oxidanylidene-2-[(2-oxidanylideneazepan-3-yl)amino]ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylmethanethioate CAS Name: [[2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-[(2-ketoazepan-3-yl)amino]ethyl]thio]methanethioic acid O-isopropyl ester Formula: C12H20N2O3S2 MolecularWeight: 304.4288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)NC1CCCCNC1=O

Isomeric SMILES

CC(C)OC(=S)SCC(=O)NC1CCCCNC1=O

InChI

InChI=1S/C12H20N2O3S2/c1-8(2)17-12(18)19-7-10(15)14-9-5-3-4-6-13-11(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,15)