[3-[2-[3-(3-methyl-4-oxidanyl-phenoxy)propylcarbamoyl]hydrazinyl]-2,1-benzothiazol-5-yl] methanesulfinate

Systemtic Name: [3-[2-[3-(3-methyl-4-oxidanyl-phenoxy)propylcarbamoyl]hydrazinyl]-2,1-benzothiazol-5-yl] methanesulfinate Openeye Name: [3-[2-[3-(4-hydroxy-3-methyl-phenoxy)propylcarbamoyl]hydrazino]-2,1-benzothiazol-5-yl] methanesulfinate CAS Name: methanesulfinic acid [3-[[[3-(4-hydroxy-3-methylphenoxy)propylamino]-oxomethyl]hydrazo]-2,1-benzothiazol-5-yl] ester IUPAC Name: [3-[2-[3-(4-hydroxy-3-methylphenoxy)propylcarbamoyl]hydrazinyl]-2,1-benzothiazol-5-yl] methanesulfinate Traditional Name: methanesulfinic acid [3-[N'-[3-(4-hydroxy-3-methyl-phenoxy)propylcarbamoyl]hydrazino]-2,1-benzothiazol-5-yl] ester Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCNC(=O)NNC2=C3C=C(C=CC3=NS2)OS(=O)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCNC(=O)NNC2=C3C=C(C=CC3=NS2)OS(=O)C)O

InChI

InChI=1S/C19H22N4O5S2/c1-12-10-13(5-7-17(12)24)27-9-3-8-20-19(25)22-21-18-15-11-14(28-30(2)26)4-6-16(15)23-29-18/h4-7,10-11,21,24H,3,8-9H2,1-2H3,(H2,20,22,25)