4-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-(chloromethyl)-N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(chloromethyl)-N-[4-methoxy-7-(4-oxanyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide Traditional Name: 4-(chloromethyl)-N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)benzamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3CCOCC3)SC(=N2)NC(=O)C4=CC=C(C=C4)CCl

Isomeric SMILES

COC1=C2C(=C(C=C1)C3CCOCC3)SC(=N2)NC(=O)C4=CC=C(C=C4)CCl

InChI

InChI=1S/C21H21ClN2O3S/c1-26-17-7-6-16(14-8-10-27-11-9-14)19-18(17)23-21(28-19)24-20(25)15-4-2-13(12-22)3-5-15/h2-7,14H,8-12H2,1H3,(H,23,24,25)