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

Systemtic Name: 1-cyclohexyl-3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-urea Openeye Name: 1-cyclohexyl-3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-urea CAS Name: 1-cyclohexyl-3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methylurea IUPAC Name: 1-cyclohexyl-3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methylurea Traditional Name: 1-cyclohexyl-3-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-urea Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

Isomeric SMILES

CN(C1CCCCC1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

InChI

InChI=1S/C21H29N3O4S/c1-24(15-6-4-3-5-7-15)21(25)23-20-22-18-17(26-2)9-8-16(19(18)29-20)14-12-27-10-11-28-13-14/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,22,23,25)