1-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(3-fluorophenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C25H25FN4O3S MolecularWeight: 480.554403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC(=CC=C4)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H25FN4O3S/c1-2-10-30-24(33)20-7-6-18(23(32)29-11-8-17(9-12-29)22(27)31)14-21(20)28-25(30)34-15-16-4-3-5-19(26)13-16/h2-7,13-14,17H,1,8-12,15H2,(H2,27,31)