2-morpholin-4-ylethyl 7-[2-[4-(2-methyl-3-oxidanyl-octan-2-yl)phenyl]-2-propanethioyl-hydrazinyl]heptanoate

Systemtic Name: 2-morpholin-4-ylethyl 7-[2-[4-(2-methyl-3-oxidanyl-octan-2-yl)phenyl]-2-propanethioyl-hydrazinyl]heptanoate Openeye Name: 2-morpholinoethyl 7-[2-[4-(2-hydroxy-1,1-dimethyl-heptyl)phenyl]-2-propanethioyl-hydrazino]heptanoate CAS Name: 7-[2-[4-(3-hydroxy-2-methyloctan-2-yl)phenyl]-2-(1-sulfanylidenepropyl)hydrazinyl]heptanoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 7-[2-[4-(3-hydroxy-2-methyloctan-2-yl)phenyl]-2-propanethioylhydrazinyl]heptanoate Traditional Name: 7-[N'-[4-(2-hydroxy-1,1-dimethyl-heptyl)phenyl]-N'-propanethioyl-hydrazino]enanthic acid 2-morpholinoethyl ester Formula: C31H53N3O4S MolecularWeight: 563.83522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)(C)C1=CC=C(C=C1)N(C(=S)CC)NCCCCCCC(=O)OCCN2CCOCC2)O

Isomeric SMILES

CCCCCC(C(C)(C)C1=CC=C(C=C1)N(C(=S)CC)NCCCCCCC(=O)OCCN2CCOCC2)O

InChI

InChI=1S/C31H53N3O4S/c1-5-7-10-13-28(35)31(3,4)26-15-17-27(18-16-26)34(29(39)6-2)32-19-12-9-8-11-14-30(36)38-25-22-33-20-23-37-24-21-33/h15-18,28,32,35H,5-14,19-25H2,1-4H3