N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfanyl-benzamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-isopropylsulfanyl-benzamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(propan-2-ylthio)benzamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfanylbenzamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(isopropylthio)benzamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C20H22N2OS2/c1-13(2)24-15-8-6-7-14(11-15)19(23)22-20-17(12-21)16-9-4-3-5-10-18(16)25-20/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,22,23)