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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-2-28-11-3-10-23-19(26)15-6-9-17-18(12-15)24-21(29)25(20(17)27)13-14-4-7-16(22)8-5-14/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,26)(H,24,29)