4-(4-ethanoylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-19(29)20-7-11-22(12-8-20)27-15-17-28(18-16-27)25(31)26-21-9-13-24(14-10-21)30-23-5-3-2-4-6-23/h2-14H,15-18H2,1H3,(H,26,31)