2-(2-phenylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-(2-phenylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(2-phenylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(2-phenylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(phenylthio)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C18H20N2O2S2 MolecularWeight: 360.4936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2S2/c19-17(22)16-13-9-5-2-6-10-14(13)24-18(16)20-15(21)11-23-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,19,22)(H,20,21)