N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)C

InChI

InChI=1S/C21H24ClN3OS/c1-14-6-8-17(15(2)12-14)20(26)24-21(27)23-16-7-9-19(18(22)13-16)25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,23,24,26,27)