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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NC4=CC=CC=C43)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NC4=CC=CC=C43)C#N

InChI

InChI=1S/C19H16N4OS2/c20-9-14-12-5-2-4-8-16(12)26-19(14)23-17(24)10-25-18-13-6-1-3-7-15(13)21-11-22-18/h1,3,6-7,11H,2,4-5,8,10H2,(H,23,24)