N-(4-butan-2-ylphenyl)-4-(4-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3S/c1-3-16(2)17-4-8-19(9-5-17)23-21(26)25-14-12-24(13-15-25)20-10-6-18(22)7-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)