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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H18N4OS2/c1-12-6-7-13-15(9-21)20(27-17(13)8-12)24-18(25)10-26-19-14-4-2-3-5-16(14)22-11-23-19/h2-5,11-12H,6-8,10H2,1H3,(H,24,25)