1-ethyl-3-[6-(phenylsulfonylaminomethyl)-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-(phenylsulfonylaminomethyl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-[6-(benzenesulfonamidomethyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-(benzenesulfonamidomethyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-(benzenesulfonamidomethyl)-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[6-(benzenesulfonamidomethyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C17H18N4O3S2 MolecularWeight: 390.47982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3S2/c1-2-18-16(22)21-17-20-14-9-8-12(10-15(14)25-17)11-19-26(23,24)13-6-4-3-5-7-13/h3-10,19H,2,11H2,1H3,(H2,18,20,21,22)