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

Systemtic Name: (2R)-2-(aminocarbonylamino)-N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-butanamide Openeye Name: (2R)-N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2R)-N-[4-(1-azepanyl)phenyl]-2-(carbamoylamino)-4-(methylthio)butanamide IUPAC Name: (2R)-N-[4-(azepan-1-yl)phenyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide Traditional Name: (2R)-N-[4-(azepan-1-yl)phenyl]-4-(methylthio)-2-ureido-butyramide Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-25-13-10-16(21-18(19)24)17(23)20-14-6-8-15(9-7-14)22-11-4-2-3-5-12-22/h6-9,16H,2-5,10-13H2,1H3,(H,20,23)(H3,19,21,24)/t16-/m1/s1