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

Systemtic Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-methoxy-benzamide Openeye Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-methoxy-benzamide CAS Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-methoxybenzamide IUPAC Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-methoxybenzamide Traditional Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-methoxy-benzamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

InChI

InChI=1S/C21H22N2O5S/c1-25-15-5-3-13(4-6-15)20(24)23-21-22-18-17(26-2)8-7-16(19(18)29-21)14-11-27-9-10-28-12-14/h3-8,14H,9-12H2,1-2H3,(H,22,23,24)