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

Systemtic Name: 3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(4-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[(4-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-13(24)22-14-6-8-15(9-7-14)26-11-10-19(25)23-20-17(12-21)16-4-2-3-5-18(16)27-20/h6-9H,2-5,10-11H2,1H3,(H,22,24)(H,23,25)