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

Systemtic Name: 3-bromanyl-N-[2-[5-[(4-tert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Openeye Name: 3-bromo-N-[2-[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide CAS Name: 3-bromo-N-[2-[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide IUPAC Name: 3-bromo-N-[2-[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Traditional Name: 3-bromo-N-[2-[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O2S/c1-22(2,3)16-9-7-14(8-10-16)20(29)25-21-27-26-18(30-21)11-12-24-19(28)15-5-4-6-17(23)13-15/h4-10,13H,11-12H2,1-3H3,(H,24,28)(H,25,27,29)