1-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]thiourea CAS Name: 1-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]thiourea Formula: C13H20N6O5S2 MolecularWeight: 404.4651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)NNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H20N6O5S2/c1-8(2)16-13(25)18-17-12(20)5-6-15-10-4-3-9(26(14,23)24)7-11(10)19(21)22/h3-4,7-8,15H,5-6H2,1-2H3,(H,17,20)(H2,14,23,24)(H2,16,18,25)