N,3-dimethyl-N-[(3-nitrophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N,3-dimethyl-N-[(3-nitrophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N,3-dimethyl-N-[(3-nitrophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N,3-dimethyl-N-[(3-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N,3-dimethyl-N-[(3-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N,3-dimethyl-N-(3-nitrobenzyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C18H16N4O4S/c1-20(10-11-4-3-5-13(8-11)22(25)26)16(23)12-6-7-14-15(9-12)19-18(27)21(2)17(14)24/h3-9H,10H2,1-2H3,(H,19,27)