(2R)-2-(aminocarbonylamino)-N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2R)-2-(aminocarbonylamino)-N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-methylsulfanyl-butanamide Openeye Name: (2R)-N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2R)-N-[2-(1-azepanyl)-5-chlorophenyl]-2-(carbamoylamino)-4-(methylthio)butanamide IUPAC Name: (2R)-N-[2-(azepan-1-yl)-5-chlorophenyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide Traditional Name: (2R)-N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-(methylthio)-2-ureido-butyramide Formula: C18H27ClN4O2S MolecularWeight: 398.95058

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=C(C=CC(=C1)Cl)N2CCCCCC2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)NC1=C(C=CC(=C1)Cl)N2CCCCCC2)NC(=O)N

InChI

InChI=1S/C18H27ClN4O2S/c1-26-11-8-14(22-18(20)25)17(24)21-15-12-13(19)6-7-16(15)23-9-4-2-3-5-10-23/h6-7,12,14H,2-5,8-11H2,1H3,(H,21,24)(H3,20,22,25)/t14-/m1/s1