3-bromanyl-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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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=CC(=C(C=C3)OCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O3S/c1-4-31(22-8-6-5-7-9-22)26(33)19-10-13-21(14-11-19)29-27(35)30-25(32)20-12-15-24(23(28)16-20)34-17-18(2)3/h5-16,18H,4,17H2,1-3H3,(H2,29,30,32,35)