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

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: 4-(isoamylthio)-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-3-nitro-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-14(2)10-11-31-19-9-8-15(12-18(19)26(29)30)22(28)25(3)13-20-23-17-7-5-4-6-16(17)21(27)24-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24,27)