3-bromanyl-4-hexoxy-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3-bromo-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)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-3-4-5-11-18-36-26-17-16-22(19-24(26)30)27(34)32-29(37)33(2)25-15-10-9-14-23(25)28(35)31-20-21-12-7-6-8-13-21/h6-10,12-17,19H,3-5,11,18,20H2,1-2H3,(H,31,35)(H,32,34,37)