4-(azepan-1-ylcarbonyl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2,3-dimethylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2,3-dimethylphenyl)piperidine-1-carbothioamide Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3OS/c1-16-8-7-9-19(17(16)2)22-21(26)24-14-10-18(11-15-24)20(25)23-12-5-3-4-6-13-23/h7-9,18H,3-6,10-15H2,1-2H3,(H,22,26)