4-(azepan-1-ylcarbonyl)-N-(2-chloranyl-4,6-dimethyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-chloranyl-4,6-dimethyl-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-chloro-4,6-dimethylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperidine-1-carbothioamide Formula: C21H30ClN3OS MolecularWeight: 408.0004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3OS/c1-15-13-16(2)19(18(22)14-15)23-21(27)25-11-7-17(8-12-25)20(26)24-9-5-3-4-6-10-24/h13-14,17H,3-12H2,1-2H3,(H,23,27)