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

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(4-methoxyphenyl)-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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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)NCC4=CN=CC=C4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

InChI

InChI=1S/C22H18N4O3S/c1-29-17-7-5-16(6-8-17)26-21(28)18-9-4-15(11-19(18)25-22(26)30)20(27)24-13-14-3-2-10-23-12-14/h2-12H,13H2,1H3,(H,24,27)(H,25,30)