N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

InChI

InChI=1S/C21H20N4OS2/c1-13-23-17-9-6-5-8-15(17)20(24-13)27-12-19(26)25-21-16(11-22)14-7-3-2-4-10-18(14)28-21/h5-6,8-9H,2-4,7,10,12H2,1H3,(H,25,26)