[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H28N4O3S/c1-25-9-11-26(12-10-25)22(24-17-7-5-4-6-8-17)30-16-21(27)23-18-13-19(28-2)15-20(14-18)29-3/h4-8,13-15H,9-12,16H2,1-3H3,(H,23,27)