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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S2/c1-15-7-9-16(10-8-15)14-23-21(27)24-17-11-12-20-19(13-17)25-22(30-20)26-31(28,29)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,26)(H2,23,24,27)