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

Systemtic Name: methyl 6-(butylcarbamothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(butylcarbamothioylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[butylamino(sulfanylidene)methyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(butylcarbamothioylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-(butylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C15H17ClN2O2S2 MolecularWeight: 356.89068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O2S2/c1-3-4-7-17-15(21)18-9-5-6-10-11(8-9)22-13(12(10)16)14(19)20-2/h5-6,8H,3-4,7H2,1-2H3,(H2,17,18,21)