(2S)-2-(aminocarbonylamino)-N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide Openeye Name: (2S)-N-[2-(2-bromoanilino)-2-oxo-ethyl]-3-methyl-2-ureido-butanamide CAS Name: (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(carbamoylamino)-3-methylbutanamide IUPAC Name: (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(carbamoylamino)-3-methylbutanamide Traditional Name: (2S)-N-[2-(2-bromoanilino)-2-keto-ethyl]-3-methyl-2-ureido-butyramide Formula: C14H19BrN4O3 MolecularWeight: 371.22966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC1=CC=CC=C1Br)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)NC1=CC=CC=C1Br)NC(=O)N

InChI

InChI=1S/C14H19BrN4O3/c1-8(2)12(19-14(16)22)13(21)17-7-11(20)18-10-6-4-3-5-9(10)15/h3-6,8,12H,7H2,1-2H3,(H,17,21)(H,18,20)(H3,16,19,22)/t12-/m0/s1