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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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