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

Systemtic Name: 1-(2-ethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(2-ethylphenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(2-ethylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(2-ethylphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(2-ethylphenyl)urea Formula: C22H20N4O3S2 MolecularWeight: 452.5492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-2-15-8-6-7-11-18(15)24-21(27)23-16-12-13-19-20(14-16)30-22(25-19)26-31(28,29)17-9-4-3-5-10-17/h3-14H,2H2,1H3,(H,25,26)(H2,23,24,27)