N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-cyanophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3C#N)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3C#N)OC)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-26-18-12-16(19(27-2)11-15(18)21)23-20(28)25-9-7-24(8-10-25)17-6-4-3-5-14(17)13-22/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)