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

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

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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=C(C=C4)F)C5=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

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