2-[(2S)-2-bromanyl-2-cyano-ethyl]-N-[(4-methylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-[(2S)-2-bromanyl-2-cyano-ethyl]-N-[(4-methylphenyl)carbamothioyl]benzamide Openeye Name: 2-[(2S)-2-bromo-2-cyano-ethyl]-N-(p-tolylcarbamothioyl)benzamide CAS Name: 2-[(2S)-2-bromo-2-cyanoethyl]-N-[(4-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-[(2S)-2-bromo-2-cyanoethyl]-N-[(4-methylphenyl)carbamothioyl]benzamide Traditional Name: 2-[(2S)-2-bromo-2-cyano-ethyl]-N-(p-tolylthiocarbamoyl)benzamide Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2CC(C#N)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2C[C@@H](C#N)Br

InChI

InChI=1S/C18H16BrN3OS/c1-12-6-8-15(9-7-12)21-18(24)22-17(23)16-5-3-2-4-13(16)10-14(19)11-20/h2-9,14H,10H2,1H3,(H2,21,22,23,24)/t14-/m0/s1