[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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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)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C20H22N4O3S/c1-15-17(10-7-11-18(15)24(26)27)22-19(25)14-28-20(23-12-5-6-13-23)21-16-8-3-2-4-9-16/h2-4,7-11H,5-6,12-14H2,1H3,(H,22,25)