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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-benzyl-piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-benzylpiperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-benzyl-piperidine-1-carbothioamide Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H29N3OS/c24-19(22-12-6-1-2-7-13-22)18-10-14-23(15-11-18)20(25)21-16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,21,25)