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

Systemtic Name: 1-(2-methylphenyl)-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea Openeye Name: 1-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea Traditional Name: 1-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(o-tolyl)thiourea Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S2/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/h3-8,11,18H,9-10H2,1-2H3,(H2,19,20,26)