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

Systemtic Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethylphenyl)-4-keto-2-[(3-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(=CC=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(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H28N4O4S/c1-18-12-19(2)14-24(13-18)32-28(35)25-11-10-21(27(34)30-22-7-3-4-8-22)16-26(25)31-29(32)38-17-20-6-5-9-23(15-20)33(36)37/h5-6,9-16,22H,3-4,7-8,17H2,1-2H3,(H,30,34)