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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 2-[(3-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(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C20H21N3O2S2/c1-12(26-15-7-5-6-14(10-15)22-13(2)24)19(25)23-20-17(11-21)16-8-3-4-9-18(16)27-20/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,24)(H,23,25)