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

Systemtic Name: N,3-dimethyl-4-oxidanylidene-N-[(4-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N,3-dimethyl-4-oxo-N-[[4-(1-piperidyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N,3-dimethyl-4-oxo-N-[[4-(1-piperidinyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N,3-dimethyl-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N,3-dimethyl-N-(4-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=C(C=C3)N4CCCCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4)NC1=S

InChI

InChI=1S/C23H26N4O2S/c1-25(15-16-6-9-18(10-7-16)27-12-4-3-5-13-27)21(28)17-8-11-19-20(14-17)24-23(30)26(2)22(19)29/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,30)