4-(azepan-1-ylcarbonyl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3,5-dimethylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H31N3OS/c1-16-13-17(2)15-19(14-16)22-21(26)24-11-7-18(8-12-24)20(25)23-9-5-3-4-6-10-23/h13-15,18H,3-12H2,1-2H3,(H,22,26)