1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-[3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]urea

Systemtic Name: 1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-[3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]urea Openeye Name: 1-(4,5-diisocyano-2-methylsulfonyl-anilino)-3-(3-methyl-2,5-dioxo-pyrrolidin-1-yl)urea CAS Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-(3-methyl-2,5-dioxo-1-pyrrolidinyl)urea IUPAC Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)urea Traditional Name: 1-(4,5-diisocyano-2-mesyl-anilino)-3-(2,5-diketo-3-methyl-pyrrolidino)urea Formula: C15H14N6O5S MolecularWeight: 390.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C1=O)NC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)(=O)C

Isomeric SMILES

CC1CC(=O)N(C1=O)NC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)(=O)C

InChI

InChI=1S/C15H14N6O5S/c1-8-5-13(22)21(14(8)23)20-15(24)19-18-11-6-9(16-2)10(17-3)7-12(11)27(4,25)26/h6-8,18H,5H2,1,4H3,(H2,19,20,24)