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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S2/c1-15(2)21(27)25-17-7-5-6-16(12-17)13-24-22(28)20-18-8-11-29-14-19(18)30-23(20)26-9-3-4-10-26/h3-7,9-10,12,15H,8,11,13-14H2,1-2H3,(H,24,28)(H,25,27)