1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(4-sulfamoylphenyl)ethyl]urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(4-sulfamoylphenyl)ethyl]urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(4-sulfamoylphenyl)ethyl]urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(4-sulfamoylphenyl)ethyl]urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[2-(4-sulfamoylphenyl)ethyl]urea Formula: C16H15N5O5S2 MolecularWeight: 421.4508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H15N5O5S2/c17-28(25,26)12-4-1-10(2-5-12)7-8-18-15(22)20-16-19-13-6-3-11(21(23)24)9-14(13)27-16/h1-6,9H,7-8H2,(H2,17,25,26)(H2,18,19,20,22)