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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(cyclohexylcarbamoylamino)butanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-(cyclohexylcarbamoylamino)butanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[[(cyclohexylamino)-oxomethyl]amino]butanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(cyclohexylcarbamoylamino)butanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-(cyclohexylcarbamoylamino)butyramide Formula: C20H29BrN4O3 MolecularWeight: 453.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCNC(=O)NC2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCCNC(=O)NC2CCCCC2

InChI

InChI=1S/C20H29BrN4O3/c1-14-12-15(21)9-10-17(14)25-19(27)13-23-18(26)8-5-11-22-20(28)24-16-6-3-2-4-7-16/h9-10,12,16H,2-8,11,13H2,1H3,(H,23,26)(H,25,27)(H2,22,24,28)