N,3-dimethyl-4-oxidanylidene-N-[(2-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N,3-dimethyl-4-oxidanylidene-N-[(2-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N,3-dimethyl-4-oxo-N-[[2-(1-piperidyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N,3-dimethyl-4-oxo-N-[[2-(1-piperidinyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N,3-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N,3-dimethyl-N-(2-piperidinobenzyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3N4CCCCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3N4CCCCC4)NC1=S

InChI

InChI=1S/C23H26N4O2S/c1-25(15-17-8-4-5-9-20(17)27-12-6-3-7-13-27)21(28)16-10-11-18-19(14-16)24-23(30)26(2)22(18)29/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,30)