N-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)OC

InChI

InChI=1S/C19H23N3O3S/c1-24-17-7-6-14(12-18(17)25-2)20-19(26)22-10-8-21(9-11-22)15-4-3-5-16(23)13-15/h3-7,12-13,23H,8-11H2,1-2H3,(H,20,26)