3-bromanyl-N-[(4-cyanophenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-cyanophenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-cyanophenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(4-cyanoanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(4-cyanophenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-cyanophenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C#N)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C#N)Br

InChI

InChI=1S/C18H16BrN3O2S/c1-2-9-24-16-8-5-13(10-15(16)19)17(23)22-18(25)21-14-6-3-12(11-20)4-7-14/h3-8,10H,2,9H2,1H3,(H2,21,22,23,25)