N-(4-butylphenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3S/c1-2-3-5-17-8-10-19(11-9-17)23-21(26)25-14-12-24(13-15-25)20-7-4-6-18(22)16-20/h4,6-11,16H,2-3,5,12-15H2,1H3,(H,23,26)