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

Systemtic Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea Openeye Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiourea CAS Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea IUPAC Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea Traditional Name: 1-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-[(1S,2R)-2-methylcyclohexyl]thiourea Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=S)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S2/c1-12-5-3-4-6-14(12)20-17(26)19-10-9-18-15-8-7-13(27(2,24)25)11-16(15)21(22)23/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H2,19,20,26)/t12-,14+/m1/s1