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

Systemtic Name: 1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-[2-(hydroxymethyl)-4-methyl-phenyl]urea Openeye Name: 1-(4,5-diisocyano-2-methylsulfonyl-anilino)-3-[2-(hydroxymethyl)-4-methyl-phenyl]urea CAS Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-[2-(hydroxymethyl)-4-methylphenyl]urea IUPAC Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-[2-(hydroxymethyl)-4-methylphenyl]urea Traditional Name: 1-(4,5-diisocyano-2-mesyl-anilino)-3-(4-methyl-2-methylol-phenyl)urea Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)(=O)C)CO

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)(=O)C)CO

InChI

InChI=1S/C18H17N5O4S/c1-11-5-6-13(12(7-11)10-24)21-18(25)23-22-16-8-14(19-2)15(20-3)9-17(16)28(4,26)27/h5-9,22,24H,10H2,1,4H3,(H2,21,23,25)