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

Systemtic Name: 1-(3-ethoxypropyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-ethoxypropyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-ethoxypropyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-ethoxypropyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-ethoxypropyl)urea Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)NC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=O)NC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4S2/c1-2-27-12-6-11-20-18(24)21-14-9-10-16-17(13-14)28-19(22-16)23-29(25,26)15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,22,23)(H2,20,21,24)