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

Systemtic Name: N-cyclopentyl-3-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-isobutyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(2-methylpropyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-isobutyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c1-16(2)14-28-24(31)21-11-10-18(23(30)26-19-7-3-4-8-19)13-22(21)27-25(28)34-15-17-6-5-9-20(12-17)29(32)33/h5-6,9-13,16,19H,3-4,7-8,14-15H2,1-2H3,(H,26,30)