1-[3-(dimethylsulfamoyl)phenyl]-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-keto-5-nitro-indol-3-yl)amino]thiourea Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O5S2/c1-22(2)30(27,28)12-5-3-4-10(8-12)18-17(29)21-20-15-13-9-11(23(25)26)6-7-14(13)19-16(15)24/h3-9H,1-2H3,(H2,18,21,29)(H,19,20,24)