5-bromanyl-N-[(2-cyanophenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-cyanophenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(2-cyanophenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(2-cyanoanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(2-cyanophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(2-cyanophenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC=C3C#N

InChI

InChI=1S/C23H18BrN3O2S/c24-18-10-11-21(29-13-12-16-6-2-1-3-7-16)19(14-18)22(28)27-23(30)26-20-9-5-4-8-17(20)15-25/h1-11,14H,12-13H2,(H2,26,27,28,30)