2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5CC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S/c1-16-11-14-21(22(15-16)30(33)34)27-24(31)23(17-7-3-2-4-8-17)35-26-28-20-10-6-5-9-19(20)25(32)29(26)18-12-13-18/h2-11,14-15,18,23H,12-13H2,1H3,(H,27,31)