N-(4-butyl-2-methyl-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(2-cyanophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C23H28N4S/c1-3-4-7-19-10-11-21(18(2)16-19)25-23(28)27-14-12-26(13-15-27)22-9-6-5-8-20(22)17-24/h5-6,8-11,16H,3-4,7,12-15H2,1-2H3,(H,25,28)