1-ethyl-3-[6-nitro-7-(phenylsulfonylmethyl)-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-nitro-7-(phenylsulfonylmethyl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-[7-(benzenesulfonylmethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[7-(benzenesulfonylmethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[7-(benzenesulfonylmethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[7-(besylmethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O5S2/c1-2-18-16(22)20-17-19-13-8-9-14(21(23)24)12(15(13)27-17)10-28(25,26)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19,20,22)