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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-phenethyl-piperazine-1-carbothioamide Formula: C18H20Cl2N4S MolecularWeight: 395.3492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H20Cl2N4S/c19-15-12-21-13-16(20)17(15)23-8-10-24(11-9-23)18(25)22-7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,25)