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

Systemtic Name: phenethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-hexoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-hexoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4S/c1-2-3-4-8-18-30-22-13-11-21(12-14-22)26-25(32)27-23(28)15-16-24(29)31-19-17-20-9-6-5-7-10-20/h5-7,9-14H,2-4,8,15-19H2,1H3,(H2,26,27,28,32)