[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C23H30N4OS/c1-4-19-10-8-9-18(2)22(19)25-21(28)17-29-23(24-20-11-6-5-7-12-20)27-15-13-26(3)14-16-27/h5-12H,4,13-17H2,1-3H3,(H,25,28)