phenethyl 4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(4-isopentyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-isoamoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5S/c1-18(2)14-16-32-21-10-8-20(9-11-21)24(31)27-28-25(34)26-22(29)12-13-23(30)33-17-15-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,27,31)(H2,26,28,29,34)