4-(azepan-1-ylcarbonyl)-N-(3-chloranyl-2-methyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3-chloranyl-2-methyl-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3-chloro-2-methyl-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3-chloro-2-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-chloro-2-methyl-phenyl)piperidine-1-carbothioamide Formula: C20H28ClN3OS MolecularWeight: 393.97382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H28ClN3OS/c1-15-17(21)7-6-8-18(15)22-20(26)24-13-9-16(10-14-24)19(25)23-11-4-2-3-5-12-23/h6-8,16H,2-5,9-14H2,1H3,(H,22,26)