N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide CAS Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(N3C5=CC=CC=C5)CCCC4)C#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(N3C5=CC=CC=C5)CCCC4)C#N

InChI

InChI=1S/C28H25N5O2S/c1-2-16-32-27(35)21-13-6-8-14-23(21)30-28(32)36-18-25(34)31-26-22(17-29)20-12-7-9-15-24(20)33(26)19-10-4-3-5-11-19/h2-6,8,10-11,13-14H,1,7,9,12,15-16,18H2,(H,31,34)