1-(3,4-dimethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)C

InChI

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