3-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide

Systemtic Name: 3-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide Openeye Name: 3-acetamido-N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-3-(p-tolyl)propanamide CAS Name: 3-acetamido-N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-3-(4-methylphenyl)propanamide IUPAC Name: 3-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide Traditional Name: 3-acetamido-N-[5-(4-bromobenzyl)thiazol-2-yl]-3-(p-tolyl)propionamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br)NC(=O)C

InChI

InChI=1S/C22H22BrN3O2S/c1-14-3-7-17(8-4-14)20(25-15(2)27)12-21(28)26-22-24-13-19(29-22)11-16-5-9-18(23)10-6-16/h3-10,13,20H,11-12H2,1-2H3,(H,25,27)(H,24,26,28)