3-(cyclohexylsulfanylmethyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(4-methylpiperazin-4-ium-1-yl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(4-methyl-1-piperazin-4-iumyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(4-methylpiperazin-4-ium-1-yl)coumarilamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C21H29N3O2S/c1-23-11-13-24(14-12-23)22-21(25)20-18(15-27-16-7-3-2-4-8-16)17-9-5-6-10-19(17)26-20/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H,22,25)/p+1