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

Systemtic Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C30H30N4O4S MolecularWeight: 542.6486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5CCCCC5)C

InChI

InChI=1S/C30H30N4O4S/c1-19-13-20(2)15-23(14-19)31-28(35)22-11-12-26-27(17-22)32-30(33(29(26)36)24-8-4-3-5-9-24)39-18-21-7-6-10-25(16-21)34(37)38/h6-7,10-17,24H,3-5,8-9,18H2,1-2H3,(H,31,35)