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

Systemtic Name: methyl 3-chloranyl-6-(2-dimethylaminoethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(2-dimethylaminoethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2-dimethylaminoethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(2-dimethylaminoethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H18ClN3O2S2 MolecularWeight: 371.90532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2S2/c1-19(2)7-6-17-15(22)18-9-4-5-10-11(8-9)23-13(12(10)16)14(20)21-3/h4-5,8H,6-7H2,1-3H3,(H2,17,18,22)