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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[2-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O3S/c1-3-5-17-34-24-16-15-19(28)18-22(24)25(32)30-27(35)29-23-14-10-9-13-21(23)26(33)31(4-2)20-11-7-6-8-12-20/h6-16,18H,3-5,17H2,1-2H3,(H2,29,30,32,35)