3-phenylpropyl 5-[[3-(butanoylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-(butanoylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(butanoylamino)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(butanoylamino)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-butyramidophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O4S/c1-2-9-22(29)26-20-13-6-14-21(18-20)27-25(33)28-23(30)15-7-16-24(31)32-17-8-12-19-10-4-3-5-11-19/h3-6,10-11,13-14,18H,2,7-9,12,15-17H2,1H3,(H,26,29)(H2,27,28,30,33)