(2R)-2-(aminocarbonylamino)-4-methylsulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]butanamide

Systemtic Name: (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]butanamide Openeye Name: (2R)-4-methylsulfanyl-N-[2-(2-nitroanilino)ethyl]-2-ureido-butanamide CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)-N-[2-(2-nitroanilino)ethyl]butanamide IUPAC Name: (2R)-2-(carbamoylamino)-4-methylsulfanyl-N-[2-(2-nitroanilino)ethyl]butanamide Traditional Name: (2R)-4-(methylthio)-N-[2-(2-nitroanilino)ethyl]-2-ureido-butyramide Formula: C14H21N5O4S MolecularWeight: 355.41264

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C14H21N5O4S/c1-24-9-6-11(18-14(15)21)13(20)17-8-7-16-10-4-2-3-5-12(10)19(22)23/h2-5,11,16H,6-9H2,1H3,(H,17,20)(H3,15,18,21)/t11-/m1/s1