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

Systemtic Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C29H28N4O6S MolecularWeight: 560.62082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C29H28N4O6S/c1-38-23-14-22(15-24(16-23)39-2)32-28(35)25-12-9-19(27(34)30-20-5-3-4-6-20)13-26(25)31-29(32)40-17-18-7-10-21(11-8-18)33(36)37/h7-16,20H,3-6,17H2,1-2H3,(H,30,34)