[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H23N3O2S/c1-16(25)17-9-11-19(12-10-17)22-20(26)15-27-21(24-13-5-6-14-24)23-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-15H2,1H3,(H,22,26)