3-bromanyl-N-[2-[5-[(4-methylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[5-[(4-methylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Openeye Name: 3-bromo-N-[2-[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide CAS Name: 3-bromo-N-[2-[5-[[(4-methylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Traditional Name: 3-bromo-N-[2-[5-(p-toluoylamino)-1,3,4-thiadiazol-2-yl]ethyl]benzamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrN4O2S/c1-12-5-7-13(8-6-12)18(26)22-19-24-23-16(27-19)9-10-21-17(25)14-3-2-4-15(20)11-14/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24,26)