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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-5-yl]urea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea Traditional Name: 1-(3-chloro-2-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=C(C(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

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