methyl 3-chloranyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(tetralin-1-ylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(tetralin-1-ylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCC4=CC=CC=C34)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCC4=CC=CC=C34)Cl

InChI

InChI=1S/C21H19ClN2O2S2/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/h2-3,5,7,9-11,16H,4,6,8H2,1H3,(H2,23,24,27)