N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-(mesylmethyl)benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-5-10-24-14(2)11-18(15(24)3)19-12-28-21(22-19)23-20(25)17-8-6-16(7-9-17)13-29(4,26)27/h5-9,11-12H,1,10,13H2,2-4H3,(H,22,23,25)