5-bromanyl-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C30H26BrN3O3S MolecularWeight: 588.51474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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