3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide

Systemtic Name: 3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide Openeye Name: 3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide CAS Name: 3-[(4-acetamidophenyl)thio]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide IUPAC Name: 3-(4-acetamidophenyl)sulfanyl-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide Traditional Name: 3-[(4-acetamidophenyl)thio]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C21H23N3O2S2/c1-14(25)23-15-7-9-16(10-8-15)27-12-11-20(26)24-21-18(13-22)17-5-3-2-4-6-19(17)28-21/h7-10H,2-6,11-12H2,1H3,(H,23,25)(H,24,26)