3-phenylpropyl 5-oxidanylidene-5-(1-phenylpropylcarbamothioylamino)pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(1-phenylpropylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(1-phenylpropylcarbamothioylamino)pentanoate CAS Name: 5-oxo-5-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(1-phenylpropylcarbamothioylamino)pentanoate Traditional Name: 5-keto-5-(1-phenylpropylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-2-21(20-14-7-4-8-15-20)25-24(30)26-22(27)16-9-17-23(28)29-18-10-13-19-11-5-3-6-12-19/h3-8,11-12,14-15,21H,2,9-10,13,16-18H2,1H3,(H2,25,26,27,30)