3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-1-(4-oxidanylcyclohexyl)urea

Systemtic Name: 3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-1-(4-oxidanylcyclohexyl)urea Openeye Name: 3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-(4-hydroxycyclohexyl)-1-methyl-urea CAS Name: 3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-(4-hydroxycyclohexyl)-1-methylurea IUPAC Name: 3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-(4-hydroxycyclohexyl)-1-methylurea Traditional Name: 3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-(4-hydroxycyclohexyl)-1-methyl-urea Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)O)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

Isomeric SMILES

CN(C1CCC(CC1)O)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

InChI

InChI=1S/C21H29N3O5S/c1-24(14-3-5-15(25)6-4-14)21(26)23-20-22-18-17(27-2)8-7-16(19(18)30-20)13-11-28-9-10-29-12-13/h7-8,13-15,25H,3-6,9-12H2,1-2H3,(H,22,23,26)