3-phenylpropyl 4-(naphthalen-1-ylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(naphthalen-1-ylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(1-naphthylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(naphthalen-1-ylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

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