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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C19H19N3O2S2/c1-12(23)21-13-5-4-6-14(9-13)25-11-18(24)22-19-16(10-20)15-7-2-3-8-17(15)26-19/h4-6,9H,2-3,7-8,11H2,1H3,(H,21,23)(H,22,24)