N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-bromanyl-benzamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-bromanyl-benzamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-bromo-benzamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-4-bromobenzamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-4-bromobenzamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-4-bromo-benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c1-14-13-18(11-12-19(14)25-20(27)15-5-3-2-4-6-15)24-22(29)26-21(28)16-7-9-17(23)10-8-16/h2-13H,1H3,(H,25,27)(H2,24,26,28,29)