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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-24-11-13-25(14-12-24)21(23-17-7-4-3-5-8-17)28-16-20(26)22-18-9-6-10-19(15-18)27-2/h3-10,15H,11-14,16H2,1-2H3,(H,22,26)