S-[1-(3,5-dimethoxyphenyl)carbonyl-5-nitro-benzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[1-(3,5-dimethoxyphenyl)carbonyl-5-nitro-benzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate Openeye Name: S-[1-(3,5-dimethoxybenzoyl)-5-nitro-benzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[1-[(3,5-dimethoxyphenyl)-oxomethyl]-5-nitro-2-benzimidazolyl] ester IUPAC Name: S-[1-(3,5-dimethoxybenzoyl)-5-nitrobenzimidazol-2-yl] 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-[1-(3,5-dimethoxybenzoyl)-5-nitro-benzimidazol-2-yl] ester Formula: C25H21N3O8S MolecularWeight: 523.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC(=O)C4=CC(=CC(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC(=O)C4=CC(=CC(=C4)OC)OC)OC

InChI

InChI=1S/C25H21N3O8S/c1-33-17-7-14(8-18(12-17)34-2)23(29)27-22-6-5-16(28(31)32)11-21(22)26-25(27)37-24(30)15-9-19(35-3)13-20(10-15)36-4/h5-13H,1-4H3