3-bromanyl-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[3-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-4-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(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

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

InChI

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