5-bromanyl-2-chloranyl-N-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-bromo-2-chloro-N-[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]benzamide Formula: C20H21BrClN3OS MolecularWeight: 466.82224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C

InChI

InChI=1S/C20H21BrClN3OS/c1-13-4-3-5-18(14(13)2)24-8-10-25(11-9-24)20(27)23-19(26)16-12-15(21)6-7-17(16)22/h3-7,12H,8-11H2,1-2H3,(H,23,26,27)