4-(4-ethanoylphenyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-15-4-9-20(26-3)19(14-15)22-21(27)24-12-10-23(11-13-24)18-7-5-17(6-8-18)16(2)25/h4-9,14H,10-13H2,1-3H3,(H,22,27)