N-[3-(propanoylamino)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

Systemtic Name: N-[3-(propanoylamino)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Openeye Name: N-[3-(propanoylamino)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide CAS Name: N-[3-(1-oxopropylamino)phenyl]-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide IUPAC Name: N-[3-(propanoylamino)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Traditional Name: N-(3-propionamidophenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

InChI

InChI=1S/C21H21N3O2S2/c1-2-18(25)22-14-6-5-7-15(12-14)23-20(26)19-16-8-11-27-13-17(16)28-21(19)24-9-3-4-10-24/h3-7,9-10,12H,2,8,11,13H2,1H3,(H,22,25)(H,23,26)