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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-phenethyl-piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-phenethyl-piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-phenethyl-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-phenethylpiperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-phenethyl-piperidine-1-carbothioamide Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3OS/c25-20(23-14-6-1-2-7-15-23)19-11-16-24(17-12-19)21(26)22-13-10-18-8-4-3-5-9-18/h3-5,8-9,19H,1-2,6-7,10-17H2,(H,22,26)