methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H29N3O4S/c1-17-15-18(2)22-21(16-17)33-25(26-22)28(10-4-9-27-11-13-32-14-12-27)23(29)19-5-7-20(8-6-19)24(30)31-3/h5-8,15-16H,4,9-14H2,1-3H3