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

Systemtic Name: N-(3-chlorophenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)NC2=S

InChI

InChI=1S/C23H18ClN3O2S/c24-17-7-4-8-18(14-17)25-21(28)16-9-10-19-20(13-16)26-23(30)27(22(19)29)12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,25,28)(H,26,30)