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

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C20H23IN4OS MolecularWeight: 494.39229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23IN4OS/c1-24-11-13-25(14-12-24)20(23-17-5-3-2-4-6-17)27-15-19(26)22-18-9-7-16(21)8-10-18/h2-10H,11-15H2,1H3,(H,22,26)