propan-2-yl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate

Systemtic Name: propan-2-yl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate Openeye Name: isopropyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinate CAS Name: 2-[[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]hydrazo]-4,5-diisocyanobenzenesulfinic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyanobenzenesulfinate Traditional Name: 2-[N'-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinic acid isopropyl ester Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-15(2)32-33(30)22-14-19(25-6)18(24-5)13-20(22)27-28-23(29)26-10-7-11-31-21-9-8-16(3)12-17(21)4/h8-9,12-15,27H,7,10-11H2,1-4H3,(H2,26,28,29)