[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethyl-2-sulfanylidene-3H-benzimidazol-5-yl)methanone

Systemtic Name: [(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethyl-2-sulfanylidene-3H-benzimidazol-5-yl)methanone Openeye Name: [(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethyl-2-thioxo-3H-benzimidazol-5-yl)methanone CAS Name: [(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-(1-ethyl-2-sulfanylidene-3H-benzimidazol-5-yl)methanone IUPAC Name: [(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethyl-2-sulfanylidene-3H-benzimidazol-5-yl)methanone Traditional Name: [(2S)-2-(2,5-dimethoxyphenyl)pyrrolidino]-(1-ethyl-2-thioxo-3H-benzimidazol-5-yl)methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC)NC1=S

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[C@H]3C4=C(C=CC(=C4)OC)OC)NC1=S

InChI

InChI=1S/C22H25N3O3S/c1-4-24-19-9-7-14(12-17(19)23-22(24)29)21(26)25-11-5-6-18(25)16-13-15(27-2)8-10-20(16)28-3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,23,29)/t18-/m0/s1