N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionamide Formula: C32H26N4O2S2 MolecularWeight: 562.70444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C32H26N4O2S2/c33-20-26-24-16-15-22(21-9-3-1-4-10-21)19-28(24)40-30(26)35-29(37)17-18-39-32-34-27-14-8-7-13-25(27)31(38)36(32)23-11-5-2-6-12-23/h1-14,22H,15-19H2,(H,35,37)