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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

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