N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide

Systemtic Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide Openeye Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide CAS Name: N-methyl-2-[(4-nitrophenyl)thio]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide IUPAC Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-2-[(4-nitrophenyl)thio]acetamide 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)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-21(10-16-19-15-5-3-2-4-14(15)18(24)20-16)17(23)11-27-13-8-6-12(7-9-13)22(25)26/h2-9H,10-11H2,1H3,(H,19,20,24)