N-[(2S)-1-[[4-(1,3-benzoxazol-2-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(1,3-benzoxazol-2-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[(1S)-1-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2-methyl-propyl]-2-bromo-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[(1S)-1-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2-methyl-propyl]-2-bromo-benzamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H22BrN3O3/c1-15(2)22(29-23(30)18-7-3-4-8-19(18)26)24(31)27-17-13-11-16(12-14-17)25-28-20-9-5-6-10-21(20)32-25/h3-15,22H,1-2H3,(H,27,31)(H,29,30)/t22-/m0/s1