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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O4S/c35-28(31-24-11-5-2-6-12-24)23-14-15-26-27(19-23)32-30(39-20-22-10-7-13-25(18-22)34(37)38)33(29(26)36)17-16-21-8-3-1-4-9-21/h1,3-4,7-10,13-15,18-19,24H,2,5-6,11-12,16-17,20H2,(H,31,35)