N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C20H22ClN3O2S/c1-14-7-2-3-10-17(14)26-13-18(25)23-20(27)22-16-9-6-8-15(21)19(16)24-11-4-5-12-24/h2-3,6-10H,4-5,11-13H2,1H3,(H2,22,23,25,27)