4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(2,6-dichlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2,6-dichlorobenzyl)piperazine-1-carbothioamide Formula: C22H27Cl2N3S MolecularWeight: 436.44088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2N3S/c1-2-3-5-17-8-10-18(11-9-17)25-22(28)27-14-12-26(13-15-27)16-19-20(23)6-4-7-21(19)24/h4,6-11H,2-3,5,12-16H2,1H3,(H,25,28)