[4-[2-[4-(3,5-diethylphenoxy)butylcarbamoyl]hydrazinyl]-2-isocyano-5-methyl-phenyl] 2-methoxyethanesulfinate

Systemtic Name: [4-[2-[4-(3,5-diethylphenoxy)butylcarbamoyl]hydrazinyl]-2-isocyano-5-methyl-phenyl] 2-methoxyethanesulfinate Openeye Name: [4-[2-[4-(3,5-diethylphenoxy)butylcarbamoyl]hydrazino]-2-isocyano-5-methyl-phenyl] 2-methoxyethanesulfinate CAS Name: 2-methoxyethanesulfinic acid [4-[[[4-(3,5-diethylphenoxy)butylamino]-oxomethyl]hydrazo]-2-isocyano-5-methylphenyl] ester IUPAC Name: [4-[2-[4-(3,5-diethylphenoxy)butylcarbamoyl]hydrazinyl]-2-isocyano-5-methylphenyl] 2-methoxyethanesulfinate Traditional Name: 2-methoxyethanesulfinic acid [4-[N'-[4-(3,5-diethylphenoxy)butylcarbamoyl]hydrazino]-2-isocyano-5-methyl-phenyl] ester Formula: C26H36N4O5S MolecularWeight: 516.65284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OCCCCNC(=O)NNC2=CC(=C(C=C2C)OS(=O)CCOC)[N+]#[C-])CC

Isomeric SMILES

CCC1=CC(=CC(=C1)OCCCCNC(=O)NNC2=CC(=C(C=C2C)OS(=O)CCOC)[N+]#[C-])CC

InChI

InChI=1S/C26H36N4O5S/c1-6-20-15-21(7-2)17-22(16-20)34-11-9-8-10-28-26(31)30-29-23-18-24(27-4)25(14-19(23)3)35-36(32)13-12-33-5/h14-18,29H,6-13H2,1-3,5H3,(H2,28,30,31)