methyl 3-(cyclohexylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(cyclohexylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(cyclohexylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(cyclohexylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-(cyclohexylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC3CCCCC3

InChI

InChI=1S/C17H20N2O2S2/c1-21-16(20)15-14(12-9-5-6-10-13(12)23-15)19-17(22)18-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,18,19,22)