3-cyano-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-cyano-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-3-cyano-benzamide CAS Name: 3-cyano-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-cyano-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-3-cyano-benzamide Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H17N3O2S/c23-14-17-8-4-9-18(12-17)21(26)25-22(28)24-19-10-5-11-20(13-19)27-15-16-6-2-1-3-7-16/h1-13H,15H2,(H2,24,25,26,28)