[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] benzenecarbodithioate

Systemtic Name: [2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] benzenecarbodithioate Openeye Name: [2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethyl] ester Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC(=S)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC(=S)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS2/c1-17-7-5-10-19(22-17)15-23-11-6-12-24(14-13-23)20(25)16-27-21(26)18-8-3-2-4-9-18/h2-5,7-10H,6,11-16H2,1H3