1-[(2S,3S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-[(2S,3S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1S,2S)-1-(azepane-1-carbonyl)-2-methyl-butyl]urea CAS Name: [(2S,3S)-1-(1-azepanyl)-3-methyl-1-oxopentan-2-yl]urea IUPAC Name: [(2S,3S)-1-(azepan-1-yl)-3-methyl-1-oxopentan-2-yl]urea Traditional Name: [(1S,2S)-1-(azepane-1-carbonyl)-2-methyl-butyl]urea Formula: C13H25N3O2 MolecularWeight: 255.3565

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCCC1)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCCCC1)NC(=O)N

InChI

InChI=1S/C13H25N3O2/c1-3-10(2)11(15-13(14)18)12(17)16-8-6-4-5-7-9-16/h10-11H,3-9H2,1-2H3,(H3,14,15,18)/t10-,11-/m0/s1