1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-(2-furylmethyl)thiourea CAS Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-(2-furfuryl)thiourea Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NCC2=CC=CO2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NCC2=CC=CO2

InChI

InChI=1S/C16H21N5O5S2/c1-3-20(4-2)28(24,25)15-10-12(21(22)23)7-8-14(15)18-19-16(27)17-11-13-6-5-9-26-13/h5-10,18H,3-4,11H2,1-2H3,(H2,17,19,27)