N-methyl-4-methylsulfanyl-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: N-methyl-4-methylsulfanyl-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: N-methyl-4-methylsulfanyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: N-methyl-4-(methylthio)-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: N-methyl-4-methylsulfanyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-4-(methylthio)-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

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