2-(2-chloranyl-4-methyl-phenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-methyl-phenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-chloro-4-methyl-phenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide CAS Name: 2-(2-chloro-4-methylphenoxy)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-chloro-4-methylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2-chloro-4-methyl-phenoxy)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]acetamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-14-4-9-18(17(21)12-14)26-13-19(25)23-20(27)22-15-5-7-16(8-6-15)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H2,22,23,25,27)