4-(azepan-1-ylcarbonyl)-N-(4-ethylphenyl)piperidine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

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