4-(azepan-1-ylcarbonyl)-N-(2-methylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-methylphenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(o-tolyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-methylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(o-tolyl)piperidine-1-carbothioamide Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3OS/c1-16-8-4-5-9-18(16)21-20(25)23-14-10-17(11-15-23)19(24)22-12-6-2-3-7-13-22/h4-5,8-9,17H,2-3,6-7,10-15H2,1H3,(H,21,25)