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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H24N4O2S/c1-16(26)22-18-9-11-19(12-10-18)23-20(27)15-28-21(25-13-5-6-14-25)24-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,22,26)(H,23,27)