methyl 4-[1,3-benzothiazol-2-yl(3-morpholin-4-ylpropyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O4S/c1-29-22(28)18-9-7-17(8-10-18)21(27)26(12-4-11-25-13-15-30-16-14-25)23-24-19-5-2-3-6-20(19)31-23/h2-3,5-10H,4,11-16H2,1H3