5-bromanyl-2-chloranyl-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C19H21BrClN3OS MolecularWeight: 454.81154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C

InChI

InChI=1S/C19H21BrClN3OS/c1-4-24(5-2)14-7-9-17(12(3)10-14)22-19(26)23-18(25)15-11-13(20)6-8-16(15)21/h6-11H,4-5H2,1-3H3,(H2,22,23,25,26)