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

Systemtic Name: methyl 3-chloranyl-6-(heptan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1-methylhexylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(heptan-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1-methylhexylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H23ClN2O2S2 MolecularWeight: 398.97042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O2S2/c1-4-5-6-7-11(2)20-18(24)21-12-8-9-13-14(10-12)25-16(15(13)19)17(22)23-3/h8-11H,4-7H2,1-3H3,(H2,20,21,24)