3-phenylpropyl 5-(benzamidocarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(benzamidocarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(benzamidocarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(benzoylhydrazo)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(benzamidocarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(benzamidothiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4S/c26-19(23-22(30)25-24-21(28)18-12-5-2-6-13-18)14-7-15-20(27)29-16-8-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,24,28)(H2,23,25,26,30)