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

Systemtic Name: [2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] benzenecarbodithioate Openeye Name: [2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethyl] ester Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S3/c1-30(26,27)20-10-8-18(9-11-20)16-23-12-5-13-24(15-14-23)21(25)17-29-22(28)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3