[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

InChI

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