1-methyl-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea

Systemtic Name: 1-methyl-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea Openeye Name: 1-methyl-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiourea CAS Name: 1-methyl-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea IUPAC Name: 1-methyl-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea Traditional Name: 1-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methyl-thiourea Formula: C11H16N4O4S2 MolecularWeight: 332.39914

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O4S2/c1-12-11(20)14-6-5-13-9-4-3-8(21(2,18)19)7-10(9)15(16)17/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14,20)