methyl 6-(azepan-1-ylcarbothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-(azepan-1-ylcarbothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(azepane-1-carbothioylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[1-azepanyl(sulfanylidene)methyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(azepane-1-carbothioylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-(azepane-1-carbothioylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H19ClN2O2S2 MolecularWeight: 382.92796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCCCC3)Cl

InChI

InChI=1S/C17H19ClN2O2S2/c1-22-16(21)15-14(18)12-7-6-11(10-13(12)24-15)19-17(23)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3,(H,19,23)