[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: (2-thioxo-1H-pyridin-3-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C18H21N3O3S2/c1-14-5-7-15(8-6-14)26(23,24)21-11-3-10-20(12-13-21)18(22)16-4-2-9-19-17(16)25/h2,4-9H,3,10-13H2,1H3,(H,19,25)