(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,3-benzodioxol-5-yl)acrylamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-28-11-10-17(21-23-15-4-2-3-5-16(15)24-21)22-20(25)9-7-14-6-8-18-19(12-14)27-13-26-18/h2-9,12,17H,10-11,13H2,1H3,(H,22,25)(H,23,24)/b9-7+