1-(2-methylpropyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea

Systemtic Name: 1-(2-methylpropyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-isobutyl-urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(2-methylpropyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(2-methylpropyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-isobutyl-urea Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S2/c1-12(2)11-19-17(23)20-13-8-9-16-15(10-13)21-18(26-16)22-27(24,25)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,22)(H2,19,20,23)