4-[[(4-azanyl-2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[[(4-azanyl-2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[[(3-amino-1,1-dimethyl-2-oxo-propyl)amino]methyl]-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[(4-amino-2-methyl-3-oxobutan-2-yl)amino]methyl]-N-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-[[(4-amino-2-methyl-3-oxobutan-2-yl)amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[[(3-amino-2-keto-1,1-dimethyl-propyl)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:

CC(C)(C(=O)CN)NCC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

Isomeric SMILES

CC(C)(C(=O)CN)NCC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

InChI

InChI=1S/C25H31N5O4S/c1-25(2,20(31)14-26)27-15-16-4-6-17(7-5-16)23(32)29-24-28-21-19(33-3)9-8-18(22(21)35-24)30-10-12-34-13-11-30/h4-9,27H,10-15,26H2,1-3H3,(H,28,29,32)