1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(1,3-benzodioxol-5-yl)urea Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NS(=O)(=O)C3=CC=CC=C3)NC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NS(=O)(=O)C3=CC=CC=C3)NC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O5S2/c1-13-9-15(24-21(27)23-14-7-8-17-18(10-14)31-12-30-17)11-19-20(13)25-22(32-19)26-33(28,29)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,25,26)(H2,23,24,27)