methyl 4-[(6-piperidin-1-ylcarbonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-piperidin-1-ylcarbonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[6-[oxo(1-piperidinyl)methyl]-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H21N3O4S/c1-29-21(28)15-7-5-14(6-8-15)19(26)24-22-23-17-10-9-16(13-18(17)30-22)20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,26)