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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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