butyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O3S/c1-3-4-13-28-22(27)16-9-11-17(12-10-16)23-20(26)14-25(2)15-21-24-18-7-5-6-8-19(18)29-21/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)