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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(3-oxidanylpropylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-(3-hydroxypropylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(3-hydroxypropylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(3-hydroxypropylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(3-hydroxypropylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCCCO

InChI

InChI=1S/C18H26N2O4S/c21-13-6-12-19-18(25)20-16(22)10-4-11-17(23)24-14-5-9-15-7-2-1-3-8-15/h1-3,7-8,21H,4-6,9-14H2,(H2,19,20,22,25)