4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O2S/c1-26-18-8-6-7-17(15-18)21-20(27)24-13-11-22(12-14-24)16-19(25)23-9-4-2-3-5-10-23/h6-8,15H,2-5,9-14,16H2,1H3,(H,21,27)