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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-3-(3-methoxyphenyl)-N-methyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-[(3-fluorobenzyl)thio]-4-keto-3-(3-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(=CC=C4)F)C5=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

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