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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C30H22N4O2S2/c1-18(27(35)33-28-24(17-31)22-16-15-19-9-5-6-12-21(19)26(22)38-28)37-30-32-25-14-8-7-13-23(25)29(36)34(30)20-10-3-2-4-11-20/h2-14,18H,15-16H2,1H3,(H,33,35)