methyl 4,5-dimethoxy-2-(naphthalen-1-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(naphthalen-1-ylcarbamothioylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-(1-naphthylcarbamothioylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-(naphthalen-1-ylcarbamothioylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(1-naphthylthiocarbamoylamino)benzoic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C21H20N2O4S/c1-25-18-11-15(20(24)27-3)17(12-19(18)26-2)23-21(28)22-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H2,22,23,28)