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

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea Openeye Name: 1-(2-methylallyl)-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea Traditional Name: 1-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(2-methylallyl)thiourea Formula: C14H20N4O4S2 MolecularWeight: 372.463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S2/c1-10(2)9-17-14(23)16-7-6-15-12-5-4-11(24(3,21)22)8-13(12)18(19)20/h4-5,8,15H,1,6-7,9H2,2-3H3,(H2,16,17,23)