2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-fluorophenyl)-N-methyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-[(2,5-dimethylbenzyl)thio]-3-(4-fluorophenyl)-4-keto-N-methyl-quinazoline-7-carboxamide Formula: C32H28FN3O2S MolecularWeight: 537.647023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H28FN3O2S/c1-21-9-10-22(2)25(17-21)20-39-32-34-29-18-24(30(37)35(3)19-23-7-5-4-6-8-23)11-16-28(29)31(38)36(32)27-14-12-26(33)13-15-27/h4-18H,19-20H2,1-3H3