3-phenylpropyl 5-(naphthalen-1-ylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(naphthalen-1-ylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(1-naphthylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(naphthalen-1-ylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-keto-5-(1-naphthylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H26N2O3S/c28-23(16-7-17-24(29)30-18-8-11-19-9-2-1-3-10-19)27-25(31)26-22-15-6-13-20-12-4-5-14-21(20)22/h1-6,9-10,12-15H,7-8,11,16-18H2,(H2,26,27,28,31)