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

Systemtic Name: N-(4-butylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3S/c1-2-3-4-18-7-11-21(12-8-18)24-22(27)26-15-13-25(14-16-26)17-19-5-9-20(23)10-6-19/h5-12H,2-4,13-17H2,1H3,(H,24,27)