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

Systemtic Name: methyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-heptoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-heptoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C19H28N2O4S/c1-3-4-5-6-7-14-25-16-10-8-15(9-11-16)20-19(26)21-17(22)12-13-18(23)24-2/h8-11H,3-7,12-14H2,1-2H3,(H2,20,21,22,26)