3-(4-methylpiperazin-4-ium-1-yl)-1,1-bis(oxidanylidene)-N-phenyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-1,1-bis(oxidanylidene)-N-phenyl-1-benzothiophene-2-carboxamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-1,1-dioxo-N-phenyl-benzothiophene-2-carboxamide CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide Traditional Name: 1,1-diketo-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-benzothiophene-2-carboxamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(S(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(S(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c1-22-11-13-23(14-12-22)18-16-9-5-6-10-17(16)27(25,26)19(18)20(24)21-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)/p+1