2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23N5O2S/c1-25-9-11-26(12-10-25)24-21(28)18-7-2-3-8-19(18)29-15-20(27)23-17-6-4-5-16(13-17)14-22/h2-8,13H,9-12,15H2,1H3,(H,23,27)(H,24,28)/p+1