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

Systemtic Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H28N4O4S/c1-18-13-19(2)15-24(14-18)32-28(35)25-12-9-21(27(34)30-22-5-3-4-6-22)16-26(25)31-29(32)38-17-20-7-10-23(11-8-20)33(36)37/h7-16,22H,3-6,17H2,1-2H3,(H,30,34)