3-bromanyl-4-methyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-3-bromo-4-methylbenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H22BrN3O2S/c1-16-12-13-18(14-20(16)25)22(29)27-24(31)28(2)21-11-7-6-10-19(21)23(30)26-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,26,30)(H,27,29,31)