methyl 4-(naphthalen-2-ylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(naphthalen-2-ylcarbamothioylamino)butanoate Openeye Name: methyl 4-(2-naphthylcarbamothioylamino)butanoate CAS Name: 4-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(naphthalen-2-ylcarbamothioylamino)butanoate Traditional Name: 4-(2-naphthylthiocarbamoylamino)butyric acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H18N2O2S/c1-20-15(19)7-4-10-17-16(21)18-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H2,17,18,21)