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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(4-butylphenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(4-butylphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(4-butylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(4-butylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-butylphenyl)piperidine-1-carbothioamide Formula: C23H35N3OS MolecularWeight: 401.6085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H35N3OS/c1-2-3-8-19-9-11-21(12-10-19)24-23(28)26-17-13-20(14-18-26)22(27)25-15-6-4-5-7-16-25/h9-12,20H,2-8,13-18H2,1H3,(H,24,28)