1-(4-ethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea

Systemtic Name: 1-(4-ethylphenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-ethylphenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-ethylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-ethylphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-ethylphenyl)urea Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

InChI

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