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

Systemtic Name: N-(4-butylphenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(2-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2-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=C3Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

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