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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-o-phenetyl-piperazine-1-carbothioamide Formula: C18H20Cl2N4OS MolecularWeight: 411.3486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C18H20Cl2N4OS/c1-2-25-16-6-4-3-5-15(16)22-18(26)24-9-7-23(8-10-24)17-13(19)11-21-12-14(17)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,26)