1-(4-methoxyphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(4-methoxyphenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(4-methoxyphenyl)urea Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

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