1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H22N4O3S3/c1-15-3-5-16(6-4-15)30(26,27)24-9-2-8-23(10-11-24)18(25)13-29-20-17-7-12-28-19(17)21-14-22-20/h3-7,12,14H,2,8-11,13H2,1H3