N-(3,5-dimethoxyphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-15(25)16-4-6-18(7-5-16)23-8-10-24(11-9-23)21(28)22-17-12-19(26-2)14-20(13-17)27-3/h4-7,12-14H,8-11H2,1-3H3,(H,22,28)