1-(2,4-dimethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(2,4-dimethylphenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(2,4-dimethylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(2,4-dimethylphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(2,4-dimethylphenyl)urea Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O3S2/c1-14-8-10-18(15(2)12-14)24-21(27)23-16-9-11-20-19(13-16)25-22(30-20)26-31(28,29)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,25,26)(H2,23,24,27)