3-phenylpropyl 5-(naphthalen-2-ylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(naphthalen-2-ylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(2-naphthylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(naphthalen-2-ylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-keto-5-(2-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=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

InChI

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