2-[(3-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[(3-nitrobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4S/c32-25(29-13-4-5-14-29)21-11-12-23-24(16-21)28-27(30(26(23)33)17-19-7-2-1-3-8-19)36-18-20-9-6-10-22(15-20)31(34)35/h1-3,6-12,15-16H,4-5,13-14,17-18H2