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

Systemtic Name: 1-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-5-yl]urea CAS Name: 1-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[3-(methylthio)phenyl]-3-[2-(tosylamino)-1,3-benzothiazol-5-yl]urea Formula: C22H20N4O3S3 MolecularWeight: 484.6142

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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(=CC=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S3/c1-14-6-9-18(10-7-14)32(28,29)26-22-25-19-13-16(8-11-20(19)31-22)24-21(27)23-15-4-3-5-17(12-15)30-2/h3-13H,1-2H3,(H,25,26)(H2,23,24,27)