2-bromanyl-N-[4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]phenyl]benzamide

Systemtic Name: 2-bromanyl-N-[4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]phenyl]benzamide Openeye Name: 2-bromo-N-[4-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]phenyl]benzamide CAS Name: 2-bromo-N-[4-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]phenyl]benzamide IUPAC Name: 2-bromo-N-[4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide Traditional Name: 2-bromo-N-[4-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]phenyl]benzamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C21H16BrN3O2S/c1-12-13(2)28-21(17(12)11-23)25-19(26)14-7-9-15(10-8-14)24-20(27)16-5-3-4-6-18(16)22/h3-10H,1-2H3,(H,24,27)(H,25,26)