N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-mesyl-N-(3-morpholinopropyl)benzamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C24H29N3O4S2/c1-17-5-10-21-22(18(17)2)25-24(32-21)27(12-4-11-26-13-15-31-16-14-26)23(28)19-6-8-20(9-7-19)33(3,29)30/h5-10H,4,11-16H2,1-3H3