methyl 4-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-hexoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C19H27N3O5S/c1-3-4-5-6-13-27-15-9-7-14(8-10-15)18(25)21-22-19(28)20-16(23)11-12-17(24)26-2/h7-10H,3-6,11-13H2,1-2H3,(H,21,25)(H2,20,22,23,28)