3-phenylpropyl 5-[(3-ethanoylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-ethanoylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-acetylphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-acetylphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-acetylphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-17(26)19-11-5-12-20(16-19)24-23(30)25-21(27)13-6-14-22(28)29-15-7-10-18-8-3-2-4-9-18/h2-5,8-9,11-12,16H,6-7,10,13-15H2,1H3,(H2,24,25,27,30)