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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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