1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[2-(pentylthio)-1-benzimidazolyl]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanone Traditional Name: 2-[2-(amylthio)benzimidazol-1-yl]-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H29N3O3S/c1-4-5-8-13-34-27-28-22-9-6-7-10-23(22)29(27)16-24(31)21-14-18(2)30(19(21)3)20-11-12-25-26(15-20)33-17-32-25/h6-7,9-12,14-15H,4-5,8,13,16-17H2,1-3H3