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

Systemtic Name: 1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(diethylsulfamoyl)-4-nitro-anilino]thiourea CAS Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(diethylsulfamoyl)-4-nitroanilino]thiourea Traditional Name: 1-benzyl-3-[2-(diethylsulfamoyl)-4-nitro-anilino]thiourea Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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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=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N5O4S2/c1-3-22(4-2)29(26,27)17-12-15(23(24)25)10-11-16(17)20-21-18(28)19-13-14-8-6-5-7-9-14/h5-12,20H,3-4,13H2,1-2H3,(H2,19,21,28)