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

Systemtic Name: methyl 3-chloranyl-6-(hexylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(hexylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(hexylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(hexylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(hexylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H21ClN2O2S2 MolecularWeight: 384.94384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S2/c1-3-4-5-6-9-19-17(23)20-11-7-8-12-13(10-11)24-15(14(12)18)16(21)22-2/h7-8,10H,3-6,9H2,1-2H3,(H2,19,20,23)