3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylthio]-N-methyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-3-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-3-(4-fluorophenyl)-4-keto-2-(m-anisylthio)-N-methyl-quinazoline-7-carboxamide Formula: C31H26FN3O3S MolecularWeight: 539.619843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)OC)C5=CC=C(C=C5)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)OC)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H26FN3O3S/c1-34(19-21-7-4-3-5-8-21)29(36)23-11-16-27-28(18-23)33-31(39-20-22-9-6-10-26(17-22)38-2)35(30(27)37)25-14-12-24(32)13-15-25/h3-18H,19-20H2,1-2H3