methyl 3-chloranyl-6-(naphthalen-1-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(naphthalen-1-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1-naphthylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(naphthalen-1-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1-naphthylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C21H15ClN2O2S2 MolecularWeight: 426.939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H15ClN2O2S2/c1-26-20(25)19-18(22)15-10-9-13(11-17(15)28-19)23-21(27)24-16-8-4-6-12-5-2-3-7-14(12)16/h2-11H,1H3,(H2,23,24,27)