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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]propanamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]propanamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-(1,3-benzodioxol-5-yl)propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O3S/c1-4-9-25-14(2)10-17(15(25)3)18-12-29-22(23-18)24-21(26)8-6-16-5-7-19-20(11-16)28-13-27-19/h4-5,7,10-12H,1,6,8-9,13H2,2-3H3,(H,23,24,26)