2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C31H26N4O4S MolecularWeight: 550.62754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H26N4O4S/c36-29(32-20-23-10-5-2-6-11-23)25-14-15-27-28(19-25)33-31(40-21-24-12-7-13-26(18-24)35(38)39)34(30(27)37)17-16-22-8-3-1-4-9-22/h1-15,18-19H,16-17,20-21H2,(H,32,36)