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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S2/c1-16(23(31)29-24-20(15-27)18-11-6-8-14-22(18)34-24)33-26-28-21-13-7-5-12-19(21)25(32)30(26)17-9-3-2-4-10-17/h2-5,7,9-10,12-13,16H,6,8,11,14H2,1H3,(H,29,31)