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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-(4-oxidanylidene-1H-pyridin-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-(4-oxo-1H-pyridin-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-(4-oxo-1H-pyridin-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-(4-oxo-1H-pyridin-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-keto-3-(4-keto-1H-pyridin-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=O)C=CN4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=O)C=CN4

InChI

InChI=1S/C21H15ClN4O3S/c22-14-3-1-2-12(8-14)11-24-19(28)13-4-5-16-17(9-13)25-21(30)26(20(16)29)18-10-15(27)6-7-23-18/h1-10H,11H2,(H,23,27)(H,24,28)(H,25,30)