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

Systemtic Name: N-(4-butylphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(4-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(4-butylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(4-butylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(4-butylphenyl)piperazine-1-carbothioamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H29N3OS/c1-3-4-5-19-6-10-21(11-7-19)24-23(28)26-16-14-25(15-17-26)22-12-8-20(9-13-22)18(2)27/h6-13H,3-5,14-17H2,1-2H3,(H,24,28)