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

Systemtic Name: 3-chloranyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C20H21Cl2N3OS MolecularWeight: 422.37124

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3OS/c1-13-8-9-14(12-16(13)22)19(26)24-20(27)23-17-7-5-6-15(21)18(17)25-10-3-2-4-11-25/h5-9,12H,2-4,10-11H2,1H3,(H2,23,24,26,27)