4-(1,2-benzothiazol-3-yl)-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide Formula: C19H19ClN4OS2 MolecularWeight: 418.96336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H19ClN4OS2/c1-25-16-7-6-13(20)12-15(16)21-19(26)24-10-8-23(9-11-24)18-14-4-2-3-5-17(14)27-22-18/h2-7,12H,8-11H2,1H3,(H,21,26)