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

Systemtic Name: N-[(2S)-1-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]-4-methoxy-benzamide Formula: C22H26BrN3O4 MolecularWeight: 476.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H26BrN3O4/c1-13(2)20(26-21(28)15-5-8-17(30-4)9-6-15)22(29)24-12-19(27)25-18-10-7-16(23)11-14(18)3/h5-11,13,20H,12H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1