N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3C)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3C)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-15-9-11-26(12-10-15)19-8-7-17(13-18(19)23)24-22(29)25-21(27)14-28-20-6-4-3-5-16(20)2/h3-8,13,15H,9-12,14H2,1-2H3,(H2,24,25,27,29)