methyl 4-[(5-oxidanylnaphthalen-1-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(5-oxidanylnaphthalen-1-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(5-hydroxy-1-naphthyl)carbamothioylamino]butanoate CAS Name: 4-[[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-hydroxynaphthalen-1-yl)carbamothioylamino]butanoate Traditional Name: 4-[(5-hydroxy-1-naphthyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC2=C1C=CC=C2O

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC2=C1C=CC=C2O

InChI

InChI=1S/C16H18N2O3S/c1-21-15(20)9-4-10-17-16(22)18-13-7-2-6-12-11(13)5-3-8-14(12)19/h2-3,5-8,19H,4,9-10H2,1H3,(H2,17,18,22)