1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-2-(2-thienylmethylsulfanyl)ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(thiophen-2-ylmethylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Traditional Name: 2-(2-thenylthio)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C19H24N2O3S3 MolecularWeight: 424.60046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSCC3=CC=CS3

InChI

InChI=1S/C19H24N2O3S3/c1-16-5-7-18(8-6-16)27(23,24)21-10-3-9-20(11-12-21)19(22)15-25-14-17-4-2-13-26-17/h2,4-8,13H,3,9-12,14-15H2,1H3