4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide Openeye Name: 4-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzamide IUPAC Name: 4-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-11(2)10-22-18(25)13-5-3-4-6-14(13)21-19(22)28-16-8-7-12(17(20)24)9-15(16)23(26)27/h3-9,11H,10H2,1-2H3,(H2,20,24)