methyl 4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]benzoate Openeye Name: methyl 4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]benzoate CAS Name: 4-[[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]benzoate Traditional Name: 4-[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]carbamoyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3S/c1-26-20(25)14-9-7-13(8-10-14)19(24)23-17(11-12-27-2)18-21-15-5-3-4-6-16(15)22-18/h3-10,17H,11-12H2,1-2H3,(H,21,22)(H,23,24)