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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C20H22ClN3OS/c1-15-17(21)10-7-11-18(15)23-19(25)14-26-20(24-12-5-6-13-24)22-16-8-3-2-4-9-16/h2-4,7-11H,5-6,12-14H2,1H3,(H,23,25)