3-phenylpropyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-2-3-17-29-21-13-11-20(12-14-21)25-24(31)26-22(27)15-16-23(28)30-18-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14H,2-3,7,10,15-18H2,1H3,(H2,25,26,27,31)