4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(4-butylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(4-butylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(3,5-dichloro-4-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(3,5-dichloropyridin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide Formula: C20H24Cl2N4S MolecularWeight: 423.40236

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N4S/c1-2-3-4-15-5-7-16(8-6-15)24-20(27)26-11-9-25(10-12-26)19-17(21)13-23-14-18(19)22/h5-8,13-14H,2-4,9-12H2,1H3,(H,24,27)