N-[(4-aminocarbonylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C(=O)N

InChI

InChI=1S/C17H14N4O3S/c18-14(22)10-3-1-9(2-4-10)8-19-15(23)11-5-6-12-13(7-11)20-17(25)21-16(12)24/h1-7H,8H2,(H2,18,22)(H,19,23)(H2,20,21,24,25)