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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H29ClN4OS MolecularWeight: 408.98846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29ClN4OS/c1-16-17(21)7-6-8-18(16)22-20(27)25-13-11-23(12-14-25)15-19(26)24-9-4-2-3-5-10-24/h6-8H,2-5,9-15H2,1H3,(H,22,27)