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

Systemtic Name: N-(3-chlorophenyl)-3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)NC2=S

InChI

InChI=1S/C22H16ClN3O3S/c1-29-17-8-6-16(7-9-17)26-21(28)18-10-5-13(11-19(18)25-22(26)30)20(27)24-15-4-2-3-14(23)12-15/h2-12H,1H3,(H,24,27)(H,25,30)