3-phenylpropyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(2-naphthylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-naphthylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c27-22(14-15-23(28)29-16-6-9-18-7-2-1-3-8-18)26-24(30)25-21-13-12-19-10-4-5-11-20(19)17-21/h1-5,7-8,10-13,17H,6,9,14-16H2,(H2,25,26,27,30)