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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(2-chlorophenyl)methyl]-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(2-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C22H28ClN3S MolecularWeight: 401.99582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3S/c1-3-17(2)18-8-10-20(11-9-18)24-22(27)26-14-12-25(13-15-26)16-19-6-4-5-7-21(19)23/h4-11,17H,3,12-16H2,1-2H3,(H,24,27)