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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H25N5O3S/c1-16-14-18(26(28)29)8-9-19(16)23-20(27)15-30-21(22-17-6-4-3-5-7-17)25-12-10-24(2)11-13-25/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)