N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3/c1-13(2)19(26-21(29)24-16-7-5-4-6-8-16)20(28)23-12-18(27)25-17-10-9-15(22)11-14(17)3/h4-11,13,19H,12H2,1-3H3,(H,23,28)(H,25,27)(H2,24,26,29)