N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(thiomorpholin-4-ylmethyl)benzamide

Systemtic Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(thiomorpholin-4-ylmethyl)benzamide Openeye Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(thiomorpholinomethyl)benzamide CAS Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(thiomorpholin-4-ylmethyl)benzamide IUPAC Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(thiomorpholin-4-ylmethyl)benzamide Traditional Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(thiomorpholinomethyl)benzamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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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)CN5CCSCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CN5CCSCC5

InChI

InChI=1S/C26H25N3O2S2/c1-31-22-12-11-21(19-5-3-2-4-6-19)24-23(22)27-26(33-24)28-25(30)20-9-7-18(8-10-20)17-29-13-15-32-16-14-29/h2-12H,13-17H2,1H3,(H,27,28,30)