N-(2-chlorophenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-chlorophenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-chlorophenyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-chlorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-chlorophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-chlorophenyl)-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H14ClN3O2S MolecularWeight: 407.87276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4Cl)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4Cl)NC2=S

InChI

InChI=1S/C21H14ClN3O2S/c22-16-8-4-5-9-17(16)23-19(26)13-10-11-15-18(12-13)24-21(28)25(20(15)27)14-6-2-1-3-7-14/h1-12H,(H,23,26)(H,24,28)