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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-3-5-6-7-15-25-17-10-8-16(9-11-17)21-20(27)22-18(23)12-13-19(24)26-14-4-2/h8-11H,3-7,12-15H2,1-2H3,(H2,21,22,23,27)