N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-methyl-coumarilamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C22H21N3O2S/c1-5-10-25-13(2)11-17(15(25)4)18-12-28-22(23-18)24-21(26)20-14(3)16-8-6-7-9-19(16)27-20/h5-9,11-12H,1,10H2,2-4H3,(H,23,24,26)