butyl 4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H23N3O3S/c1-3-4-13-27-20(26)15-9-11-16(12-10-15)22-19(25)14-28-21-23-17-7-5-6-8-18(17)24(21)2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)