[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O2S/c1-17-9-10-20(28-3)19(15-17)24-21(27)16-29-22(23-18-7-5-4-6-8-18)26-13-11-25(2)12-14-26/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/p+1