2-bromanyl-N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]benzamide Formula: C20H21BrClN3OS MolecularWeight: 466.82224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)Cl

InChI

InChI=1S/C20H21BrClN3OS/c1-13-8-10-25(11-9-13)18-7-6-14(12-17(18)22)23-20(27)24-19(26)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H2,23,24,26,27)