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

Systemtic Name: methyl 3-chloranyl-6-(cycloheptylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(cycloheptylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(cycloheptylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(cycloheptylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(cycloheptylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCCCC3)Cl

InChI

InChI=1S/C18H21ClN2O2S2/c1-23-17(22)16-15(19)13-9-8-12(10-14(13)25-16)21-18(24)20-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H2,20,21,24)