2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]acetamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-14-11-18(12-15(2)20(14)22)27-13-19(26)24-21(28)23-16-5-7-17(8-6-16)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,23,24,26,28)