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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H23N3O2S2/c1-12-7-8-17-18(11-22)21(28-19(17)9-12)24-20(26)13(2)27-16-6-4-5-15(10-16)23-14(3)25/h4-6,10,12-13H,7-9H2,1-3H3,(H,23,25)(H,24,26)