N-(4-butylphenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(3-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(3-chlorobenzyl)piperazine-1-carbothioamide Formula: C22H28ClN3S MolecularWeight: 401.99582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

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