4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(4-butyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(4-butyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(3,5-dichloro-4-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(3,5-dichloropyridin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide Formula: C21H26Cl2N4S MolecularWeight: 437.42894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl)C

InChI

InChI=1S/C21H26Cl2N4S/c1-3-4-5-16-6-7-19(15(2)12-16)25-21(28)27-10-8-26(9-11-27)20-17(22)13-24-14-18(20)23/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,25,28)