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

Systemtic Name: 3-(3-fluorophenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(3-fluorophenyl)-N-methyl-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-N-methyl-2-[(3-methylphenyl)methylthio]-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-3-(3-fluorophenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-3-(3-fluorophenyl)-4-keto-N-methyl-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C31H26FN3O2S MolecularWeight: 523.620443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N(C)CC4=CC=CC=C4)C(=O)N2C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N(C)CC4=CC=CC=C4)C(=O)N2C5=CC(=CC=C5)F

InChI

InChI=1S/C31H26FN3O2S/c1-21-8-6-11-23(16-21)20-38-31-33-28-17-24(29(36)34(2)19-22-9-4-3-5-10-22)14-15-27(28)30(37)35(31)26-13-7-12-25(32)18-26/h3-18H,19-20H2,1-2H3