4-[[2-(dimethylamino)ethanoyl-methyl-amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[[2-(dimethylamino)ethanoyl-methyl-amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[[[2-(dimethylamino)acetyl]-methyl-amino]methyl]-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[[2-(dimethylamino)-1-oxoethyl]-methylamino]methyl]-N-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[[[2-(dimethylamino)acetyl]-methyl-amino]methyl]-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)benzamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)N(C)CC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

Isomeric SMILES

CN(C)CC(=O)N(C)CC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

InChI

InChI=1S/C25H31N5O4S/c1-28(2)16-21(31)29(3)15-17-5-7-18(8-6-17)24(32)27-25-26-22-20(33-4)10-9-19(23(22)35-25)30-11-13-34-14-12-30/h5-10H,11-16H2,1-4H3,(H,26,27,32)