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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)SC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)SC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C26H25N3O2S2/c1-16(32-21-10-6-9-20(14-21)28-17(2)30)25(31)29-26-23(15-27)22-12-11-19(13-24(22)33-26)18-7-4-3-5-8-18/h3-10,14,16,19H,11-13H2,1-2H3,(H,28,30)(H,29,31)