N-(4-oxidanylidene-1H-quinazolin-6-yl)-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-oxidanylidene-1H-quinazolin-6-yl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-oxo-1H-quinazolin-6-yl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-oxo-1H-quinazolin-6-yl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-oxo-1H-quinazolin-6-yl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-keto-1H-quinazolin-6-yl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C18H18N6OS MolecularWeight: 366.44012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC4=C(C=C3)NC=NC4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC4=C(C=C3)NC=NC4=O

InChI

InChI=1S/C18H18N6OS/c25-17-14-11-13(4-5-15(14)20-12-21-17)22-18(26)24-9-7-23(8-10-24)16-3-1-2-6-19-16/h1-6,11-12H,7-10H2,(H,22,26)(H,20,21,25)