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

Systemtic Name: 1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-propyl-urea Openeye Name: 1-(4,5-diisocyano-2-methylsulfonyl-anilino)-3-propyl-urea CAS Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-propylurea IUPAC Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-propylurea Traditional Name: 1-(4,5-diisocyano-2-mesyl-anilino)-3-propyl-urea Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-5-6-16-13(19)18-17-11-7-9(14-2)10(15-3)8-12(11)22(4,20)21/h7-8,17H,5-6H2,1,4H3,(H2,16,18,19)