N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)C

InChI

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