2-chloranyl-5-iodanyl-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[4-(4-methylpiperidino)phenyl]thiocarbamoyl]benzamide Formula: C20H21ClIN3OS MolecularWeight: 513.82271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClIN3OS/c1-13-8-10-25(11-9-13)16-5-3-15(4-6-16)23-20(27)24-19(26)17-12-14(22)2-7-18(17)21/h2-7,12-13H,8-11H2,1H3,(H2,23,24,26,27)