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

Systemtic Name: methyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-hexoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-hexoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-3-4-5-6-13-24-15-9-7-14(8-10-15)19-18(25)20-16(21)11-12-17(22)23-2/h7-10H,3-6,11-13H2,1-2H3,(H2,19,20,21,25)