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

Systemtic Name: N-[(4-benzamidophenyl)carbamothioyl]-3-bromanyl-4-methyl-benzamide Openeye Name: N-[(4-benzamidophenyl)carbamothioyl]-3-bromo-4-methyl-benzamide CAS Name: N-[(4-benzamidoanilino)-sulfanylidenemethyl]-3-bromo-4-methylbenzamide IUPAC Name: N-[(4-benzamidophenyl)carbamothioyl]-3-bromo-4-methylbenzamide Traditional Name: N-[(4-benzamidophenyl)thiocarbamoyl]-3-bromo-4-methyl-benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

InChI

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