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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2S2/c1-4-8-20(9-5-2)17(23)19-11-6-7-12-13(10-11)24-15(14(12)18)16(21)22-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,23)