N-(5-chloranyl-2-methoxy-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H22ClN3O2S/c1-14(25)15-3-6-17(7-4-15)23-9-11-24(12-10-23)20(27)22-18-13-16(21)5-8-19(18)26-2/h3-8,13H,9-12H2,1-2H3,(H,22,27)