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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2-pyrrolidinophenyl)thiocarbamoyl]acetamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)Cl

InChI

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