3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isobutyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H28N4O4S/c1-17(2)15-29-26(33)21-8-9-24-25(14-21)30-28(37-16-20-6-5-7-22(13-20)32(35)36)31(27(24)34)23-11-18(3)10-19(4)12-23/h5-14,17H,15-16H2,1-4H3,(H,29,33)