4-(azepan-1-ylcarbonyl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3-methoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-25-18-8-6-7-17(15-18)21-20(26)23-13-9-16(10-14-23)19(24)22-11-4-2-3-5-12-22/h6-8,15-16H,2-5,9-14H2,1H3,(H,21,26)