N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylsulfanylethylamino)methyl]benzamide

Systemtic Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylsulfanylethylamino)methyl]benzamide Openeye Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylsulfanylethylamino)methyl]benzamide CAS Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[[2-(methylthio)ethylamino]methyl]benzamide IUPAC Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylsulfanylethylamino)methyl]benzamide Traditional Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[[2-(methylthio)ethylamino]methyl]benzamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCCSC

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCCSC

InChI

InChI=1S/C25H25N3O2S2/c1-30-21-13-12-20(18-6-4-3-5-7-18)23-22(21)27-25(32-23)28-24(29)19-10-8-17(9-11-19)16-26-14-15-31-2/h3-13,26H,14-16H2,1-2H3,(H,27,28,29)