methyl 3-chloranyl-6-(pentylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(pentylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(pentylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(pentylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pentylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 6-(amylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H19ClN2O2S2 MolecularWeight: 370.91726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCCCCNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C16H19ClN2O2S2/c1-3-4-5-8-18-16(22)19-10-6-7-11-12(9-10)23-14(13(11)17)15(20)21-2/h6-7,9H,3-5,8H2,1-2H3,(H2,18,19,22)