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

Systemtic Name: methyl 3-chloranyl-6-(pentan-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1-ethylpropylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(pentan-3-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pentan-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1-ethylpropylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H19ClN2O2S2 MolecularWeight: 370.91726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCC(CC)NC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

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