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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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