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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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