1-(3-methoxyphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-methoxyphenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-methoxyphenyl)urea Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S2/c1-29-16-7-5-6-14(12-16)22-20(26)23-15-10-11-19-18(13-15)24-21(30-19)25-31(27,28)17-8-3-2-4-9-17/h2-13H,1H3,(H,24,25)(H2,22,23,26)