N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N2C3=CC=CC=C3)NC(=O)CSC4=NC=NC5=CC=CC=C54)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N2C3=CC=CC=C3)NC(=O)CSC4=NC=NC5=CC=CC=C54)C#N

InChI

InChI=1S/C25H21N5OS/c26-14-20-18-10-5-7-13-22(18)30(17-8-2-1-3-9-17)24(20)29-23(31)15-32-25-19-11-4-6-12-21(19)27-16-28-25/h1-4,6,8-9,11-12,16H,5,7,10,13,15H2,(H,29,31)