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

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C20H22Cl2N4OS MolecularWeight: 437.38588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N4OS/c1-25-9-11-26(12-10-25)20(24-15-5-3-2-4-6-15)28-14-19(27)23-16-7-8-17(21)18(22)13-16/h2-8,13H,9-12,14H2,1H3,(H,23,27)