3-bromanyl-4-phenethyloxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-3-bromo-4-phenethyloxy-benzamide CAS Name: 3-bromo-4-phenethyloxy-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-3-bromo-4-phenethyloxy-benzamide Formula: C29H25BrN2O3S MolecularWeight: 561.4894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C29H25BrN2O3S/c30-26-18-23(14-15-27(26)34-17-16-21-8-3-1-4-9-21)28(33)32-29(36)31-24-12-7-13-25(19-24)35-20-22-10-5-2-6-11-22/h1-15,18-19H,16-17,20H2,(H2,31,32,33,36)