methyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-naphthylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-naphthylthiocarbamoylamino)butyric acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H16N2O3S/c1-21-15(20)9-8-14(19)18-16(22)17-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3,(H2,17,18,19,22)