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

Systemtic Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3-fluorophenyl)-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C27H23FN4O4S MolecularWeight: 518.559323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23FN4O4S/c28-19-4-3-7-22(15-19)31-26(34)23-13-10-18(25(33)29-20-5-1-2-6-20)14-24(23)30-27(31)37-16-17-8-11-21(12-9-17)32(35)36/h3-4,7-15,20H,1-2,5-6,16H2,(H,29,33)