3-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-(4-chlorobenzyl)-N-(2-hydroxyethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S/c26-20-9-6-18(7-10-20)16-29-24(32)21-11-8-19(14-22(21)27-25(29)33)23(31)28(12-13-30)15-17-4-2-1-3-5-17/h1-11,14,30H,12-13,15-16H2,(H,27,33)