1-(4-ethylphenyl)-3-[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]urea

Systemtic Name: 1-(4-ethylphenyl)-3-[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-(4-ethylphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea CAS Name: 1-(4-ethylphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea IUPAC Name: 1-(4-ethylphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea Traditional Name: 1-(4-ethylphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C

InChI

InChI=1S/C17H18N4O3S2/c1-3-11-4-6-12(7-5-11)18-16(22)19-13-8-9-14-15(10-13)25-17(20-14)21-26(2,23)24/h4-10H,3H2,1-2H3,(H,20,21)(H2,18,19,22)