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

Systemtic Name: 3-bromanyl-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(CC)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(CC)C3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-3-5-6-10-18-36-26-17-16-21(20-25(26)30)27(34)32-29(37)31-23-13-11-12-22(19-23)28(35)33(4-2)24-14-8-7-9-15-24/h7-9,11-17,19-20H,3-6,10,18H2,1-2H3,(H2,31,32,34,37)