5-bromanyl-N-[(3-cyanophenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-cyanophenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-cyanophenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-cyanoanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-cyanophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-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(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC(=C3)C#N

InChI

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