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

Systemtic Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C30H30N4O6S MolecularWeight: 574.6474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5CCCCC5)OC

InChI

InChI=1S/C30H30N4O6S/c1-39-26-14-12-21(17-27(26)40-2)31-28(35)20-11-13-24-25(16-20)32-30(33(29(24)36)22-8-4-3-5-9-22)41-18-19-7-6-10-23(15-19)34(37)38/h6-7,10-17,22H,3-5,8-9,18H2,1-2H3,(H,31,35)