4-[(4-methylsulfonylphenyl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(4-mesylbenzyl)-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

InChI

InChI=1S/C19H24N4O2S2/c1-27(24,25)18-7-5-16(6-8-18)15-22-10-3-11-23(13-12-22)19(26)21-17-4-2-9-20-14-17/h2,4-9,14H,3,10-13,15H2,1H3,(H,21,26)