1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea Openeye Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea CAS Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea Traditional Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea Formula: C18H29N5O4S2 MolecularWeight: 443.58396

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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)NC2CCCCC2C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)N[C@H]2CCCC[C@H]2C

InChI

InChI=1S/C18H29N5O4S2/c1-4-22(5-2)29(26,27)17-12-14(23(24)25)10-11-16(17)20-21-18(28)19-15-9-7-6-8-13(15)3/h10-13,15,20H,4-9H2,1-3H3,(H2,19,21,28)/t13-,15+/m1/s1