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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-chloro-2-methyl-phenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-chloro-2-methylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-chloro-2-methylphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-chloro-2-methyl-phenyl)urea Formula: C21H17ClN4O3S2 MolecularWeight: 472.96768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O3S2/c1-13-16(22)8-5-9-17(13)24-20(27)23-14-10-11-19-18(12-14)25-21(30-19)26-31(28,29)15-6-3-2-4-7-15/h2-12H,1H3,(H,25,26)(H2,23,24,27)