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

Systemtic Name: ethyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-heptoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-heptoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-3-5-6-7-8-15-26-17-11-9-16(10-12-17)21-20(27)22-18(23)13-14-19(24)25-4-2/h9-12H,3-8,13-15H2,1-2H3,(H2,21,22,23,27)