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

Systemtic Name: [2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic 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] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethyl] ester Formula: C18H27N3O3S3 MolecularWeight: 429.62028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=S)SCC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H27N3O3S3/c1-19(2)18(25)26-14-17(22)21-10-4-9-20(11-12-21)13-15-5-7-16(8-6-15)27(3,23)24/h5-8H,4,9-14H2,1-3H3