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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N4S/c1-20(2,3)14-4-6-15(7-5-14)24-19(27)26-10-8-25(9-11-26)18-16(21)12-23-13-17(18)22/h4-7,12-13H,8-11H2,1-3H3,(H,24,27)