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

Systemtic Name: methyl 3-chloranyl-6-(3-methoxypropylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(3-methoxypropylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(3-methoxypropylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(3-methoxypropylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H17ClN2O3S2 MolecularWeight: 372.89008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O3S2/c1-20-7-3-6-17-15(22)18-9-4-5-10-11(8-9)23-13(12(10)16)14(19)21-2/h4-5,8H,3,6-7H2,1-2H3,(H2,17,18,22)