N-(3-cyanophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C20H22N4O2S/c1-25-17-6-7-18(19(13-17)26-2)23-8-10-24(11-9-23)20(27)22-16-5-3-4-15(12-16)14-21/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)