5-bromanyl-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(m-tolylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C30H26BrN3O3S MolecularWeight: 588.51474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C30H26BrN3O3S/c1-20-7-5-11-24(17-20)32-28(35)22-10-6-12-25(18-22)33-30(38)34-29(36)26-19-23(31)13-14-27(26)37-16-15-21-8-3-2-4-9-21/h2-14,17-19H,15-16H2,1H3,(H,32,35)(H2,33,34,36,38)