1-(2,4-dichlorophenyl)-3-[(2,3-diisocyano-5-methylsulfonyl-phenyl)amino]urea

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[(2,3-diisocyano-5-methylsulfonyl-phenyl)amino]urea Openeye Name: 1-(2,4-dichlorophenyl)-3-(2,3-diisocyano-5-methylsulfonyl-anilino)urea CAS Name: 1-(2,4-dichlorophenyl)-3-(2,3-diisocyano-5-methylsulfonylanilino)urea IUPAC Name: 1-(2,4-dichlorophenyl)-3-(2,3-diisocyano-5-methylsulfonylanilino)urea Traditional Name: 1-(2,4-dichlorophenyl)-3-(2,3-diisocyano-5-mesyl-anilino)urea Formula: C16H11Cl2N5O3S MolecularWeight: 424.26124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)[N+]#[C-])[N+]#[C-])NNC(=O)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)[N+]#[C-])[N+]#[C-])NNC(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H11Cl2N5O3S/c1-19-13-7-10(27(3,25)26)8-14(15(13)20-2)22-23-16(24)21-12-5-4-9(17)6-11(12)18/h4-8,22H,3H3,(H2,21,23,24)