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

Systemtic Name: N-[(2S)-1-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C22H26BrN3O3/c1-13(2)20(26-21(28)16-7-5-6-14(3)10-16)22(29)24-12-19(27)25-18-9-8-17(23)11-15(18)4/h5-11,13,20H,12H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1