6-chloranyl-N-[2-(cyclohexylamino)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide; ethanedioic acid

Systemtic Name: 6-chloranyl-N-[2-(cyclohexylamino)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide; ethanedioic acid Openeye Name: 6-chloro-N-[2-(cyclohexylamino)ethyl]-3-methoxy-benzothiophene-2-carboxamide; oxalic acid CAS Name: 6-chloro-N-[2-(cyclohexylamino)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide; oxalic acid IUPAC Name: 6-chloro-N-[2-(cyclohexylamino)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide; oxalic acid Traditional Name: 6-chloro-N-[2-(cyclohexylamino)ethyl]-3-methoxy-benzothiophene-2-carboxamide; oxalic acid Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC2=C1C=CC(=C2)Cl)C(=O)NCCNC3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(SC2=C1C=CC(=C2)Cl)C(=O)NCCNC3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23ClN2O2S.C2H2O4/c1-23-16-14-8-7-12(19)11-15(14)24-17(16)18(22)21-10-9-20-13-5-3-2-4-6-13;3-1(4)2(5)6/h7-8,11,13,20H,2-6,9-10H2,1H3,(H,21,22);(H,3,4)(H,5,6)