4-(chloromethyl)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-(chloromethyl)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-(chloromethyl)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide CAS Name: 4-(chloromethyl)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(chloromethyl)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide Traditional Name: 4-(chloromethyl)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]benzamide Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3COCCOC3)SC(=N2)NC(=O)C4=CC=C(C=C4)CCl

Isomeric SMILES

COC1=C2C(=C(C=C1)C3COCCOC3)SC(=N2)NC(=O)C4=CC=C(C=C4)CCl

InChI

InChI=1S/C21H21ClN2O4S/c1-26-17-7-6-16(15-11-27-8-9-28-12-15)19-18(17)23-21(29-19)24-20(25)14-4-2-13(10-22)3-5-14/h2-7,15H,8-12H2,1H3,(H,23,24,25)