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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(5-chloro-2-methoxy-phenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(5-chloro-2-methoxyphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(5-chloro-2-methoxyphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(5-chloro-2-methoxy-phenyl)urea Formula: C21H17ClN4O4S2 MolecularWeight: 488.96708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O4S2/c1-30-18-9-7-13(22)11-16(18)24-20(27)23-14-8-10-19-17(12-14)25-21(31-19)26-32(28,29)15-5-3-2-4-6-15/h2-12H,1H3,(H,25,26)(H2,23,24,27)