methyl 3-chloranyl-6-(morpholin-4-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(morpholin-4-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(morpholinocarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(morpholin-4-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(morpholinothiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H16ClN3O3S2 MolecularWeight: 385.88884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NN3CCOCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NN3CCOCC3)Cl

InChI

InChI=1S/C15H16ClN3O3S2/c1-21-14(20)13-12(16)10-3-2-9(8-11(10)24-13)17-15(23)18-19-4-6-22-7-5-19/h2-3,8H,4-7H2,1H3,(H2,17,18,23)