N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionamide Formula: C30H22N4O2S2 MolecularWeight: 534.65128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)CCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)CCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C30H22N4O2S2/c31-18-24-22-15-14-19-8-4-5-11-21(19)27(22)38-28(24)33-26(35)16-17-37-30-32-25-13-7-6-12-23(25)29(36)34(30)20-9-2-1-3-10-20/h1-13H,14-17H2,(H,33,35)