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

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide CAS Name: N-(4-acetamido-3-methylphenyl)-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-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:

CC1=C(C=CC(=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4)NC(=O)C

InChI

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