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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-methyl-2-(tosylamino)-1,3-benzothiazol-6-yl]urea Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3C)NC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3C)NC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N4O5S2/c1-13-3-6-17(7-4-13)34(29,30)27-23-26-21-14(2)9-16(11-20(21)33-23)25-22(28)24-15-5-8-18-19(10-15)32-12-31-18/h3-11H,12H2,1-2H3,(H,26,27)(H2,24,25,28)