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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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