3-phenylpropyl 5-[(4-butoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-butoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-butoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-butoxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-butoxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-2-3-18-30-22-16-14-21(15-17-22)26-25(32)27-23(28)12-7-13-24(29)31-19-8-11-20-9-5-4-6-10-20/h4-6,9-10,14-17H,2-3,7-8,11-13,18-19H2,1H3,(H2,26,27,28,32)