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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

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