N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylthio]-3-(3-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3-fluorophenyl)-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H26FN3O2S MolecularWeight: 499.599043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC=C5)F

Isomeric SMILES

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC=C5)F

InChI

InChI=1S/C29H26FN3O2S/c1-2-19-10-12-20(13-11-19)18-36-29-32-26-16-21(27(34)31-23-7-3-4-8-23)14-15-25(26)28(35)33(29)24-9-5-6-22(30)17-24/h2,5-6,9-17,23H,1,3-4,7-8,18H2,(H,31,34)