4-(chloromethyl)-N-(7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(chloromethyl)-N-(7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(4-benzyloxy-7-morpholino-1,3-benzothiazol-2-yl)-4-(chloromethyl)benzamide CAS Name: 4-(chloromethyl)-N-[7-(4-morpholinyl)-4-phenylmethoxy-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(chloromethyl)-N-(7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(4-benzoxy-7-morpholino-1,3-benzothiazol-2-yl)-4-(chloromethyl)benzamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C(=C(C=C2)OCC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)CCl

Isomeric SMILES

C1COCCN1C2=C3C(=C(C=C2)OCC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)CCl

InChI

InChI=1S/C26H24ClN3O3S/c27-16-18-6-8-20(9-7-18)25(31)29-26-28-23-22(33-17-19-4-2-1-3-5-19)11-10-21(24(23)34-26)30-12-14-32-15-13-30/h1-11H,12-17H2,(H,28,29,31)