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

Systemtic Name: 3-phenylpropyl 5-[[4-(methylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(methylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(methylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(methylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(methylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-24-22(29)18-12-14-19(15-13-18)25-23(31)26-20(27)10-5-11-21(28)30-16-6-9-17-7-3-2-4-8-17/h2-4,7-8,12-15H,5-6,9-11,16H2,1H3,(H,24,29)(H2,25,26,27,31)