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

Systemtic Name: 1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-(2-methylpropyl)urea Openeye Name: 1-(4,5-diisocyano-2-methylsulfonyl-anilino)-3-isobutyl-urea CAS Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-(2-methylpropyl)urea IUPAC Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-(2-methylpropyl)urea Traditional Name: 1-(4,5-diisocyano-2-mesyl-anilino)-3-isobutyl-urea Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C

InChI

InChI=1S/C14H17N5O3S/c1-9(2)8-17-14(20)19-18-12-6-10(15-3)11(16-4)7-13(12)23(5,21)22/h6-7,9,18H,8H2,1-2,5H3,(H2,17,19,20)