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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

InChI

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