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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-5-yl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(tosylamino)-1,3-benzothiazol-5-yl]urea Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C22H19ClN4O3S2/c1-13-3-8-17(9-4-13)32(29,30)27-22-26-19-12-16(7-10-20(19)31-22)25-21(28)24-15-6-5-14(2)18(23)11-15/h3-12H,1-2H3,(H,26,27)(H2,24,25,28)