[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-17-9-10-20(15-18(17)2)23-21(27)16-28-22(24-19-7-5-4-6-8-19)26-13-11-25(3)12-14-26/h4-10,15H,11-14,16H2,1-3H3,(H,23,27)/p+1