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

Systemtic Name: 5-bromanyl-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C31H28BrN3O3S MolecularWeight: 602.54132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C31H28BrN3O3S/c1-2-35(26-11-7-4-8-12-26)30(37)23-13-16-25(17-14-23)33-31(39)34-29(36)27-21-24(32)15-18-28(27)38-20-19-22-9-5-3-6-10-22/h3-18,21H,2,19-20H2,1H3,(H2,33,34,36,39)