4-(azepan-1-ylcarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[(4-methoxyphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-p-anisyl-piperidine-1-carbothioamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O2S/c1-26-19-8-6-17(7-9-19)16-22-21(27)24-14-10-18(11-15-24)20(25)23-12-4-2-3-5-13-23/h6-9,18H,2-5,10-16H2,1H3,(H,22,27)