3-bromanyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C28H24BrN3O3S MolecularWeight: 562.47746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)CC3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)CC3=CC=CC4=CC=CC=C43)Br

InChI

InChI=1S/C28H24BrN3O3S/c29-24-17-22(13-14-25(24)35-16-15-19-7-2-1-3-8-19)27(34)30-28(36)32-31-26(33)18-21-11-6-10-20-9-4-5-12-23(20)21/h1-14,17H,15-16,18H2,(H,31,33)(H2,30,32,34,36)