3-[3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]propyl]-1H-benzimidazol-2-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H25N3O2S/c1-14-12-17(15(2)24(14)16-8-9-16)20(25)13-27-11-5-10-23-19-7-4-3-6-18(19)22-21(23)26/h3-4,6-7,12,16H,5,8-11,13H2,1-2H3,(H,22,26)