3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]acrylamide Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H21NO3S/c1-16-3-4-17(2)23(13-16)29-20-9-7-19(8-10-20)25-24(26)12-6-18-5-11-21-22(14-18)28-15-27-21/h3-14H,15H2,1-2H3,(H,25,26)