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

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC)Cl

InChI

InChI=1S/C20H21ClN4O2S2/c1-26-16-12-15(17(27-2)11-14(16)21)22-20(28)25-9-7-24(8-10-25)19-13-5-3-4-6-18(13)29-23-19/h3-6,11-12H,7-10H2,1-2H3,(H,22,28)