methyl 4-[2-(naphthalen-2-ylcarbamothioylamino)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-(naphthalen-2-ylcarbamothioylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-(2-naphthylcarbamothioylamino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(naphthalen-2-ylcarbamothioylamino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(2-naphthylthiocarbamoylamino)ethoxy]benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18N2O4S/c1-26-20(25)15-7-10-18(11-8-15)27-13-19(24)23-21(28)22-17-9-6-14-4-2-3-5-16(14)12-17/h2-12H,13H2,1H3,(H2,22,23,24,28)