N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-methylquinolin-1-ium-2-yl)thio]acetamide Formula: C21H20N3OS2+ MolecularWeight: 394.533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H19N3OS2/c1-13-10-20(23-17-8-4-2-6-14(13)17)26-12-19(25)24-21-16(11-22)15-7-3-5-9-18(15)27-21/h2,4,6,8,10H,3,5,7,9,12H2,1H3,(H,24,25)/p+1