3-methylsulfanyl-4-oxidanylidene-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-6,7-dihydro-5H-2-benzothiophene-1-carboxamide

Systemtic Name: 3-methylsulfanyl-4-oxidanylidene-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-6,7-dihydro-5H-2-benzothiophene-1-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxamide CAS Name: 3-(methylthio)-4-oxo-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-6,7-dihydro-5H-2-benzothiophene-1-carboxamide IUPAC Name: 3-methylsulfanyl-4-oxo-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-6,7-dihydro-5H-2-benzothiophene-1-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzothiophene-1-carboxamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C(=O)NC3=CN(N=C3)CCOCC4=CC=CC=C4)CCCC2=O

Isomeric SMILES

CSC1=C2C(=C(S1)C(=O)NC3=CN(N=C3)CCOCC4=CC=CC=C4)CCCC2=O

InChI

InChI=1S/C22H23N3O3S2/c1-29-22-19-17(8-5-9-18(19)26)20(30-22)21(27)24-16-12-23-25(13-16)10-11-28-14-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11,14H2,1H3,(H,24,27)