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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C22H25N3O2S2/c1-4-19(28-16-7-5-6-15(11-16)24-14(3)26)21(27)25-22-18(12-23)17-9-8-13(2)10-20(17)29-22/h5-7,11,13,19H,4,8-10H2,1-3H3,(H,24,26)(H,25,27)