(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-N-(3-morpholinosulfonylphenyl)-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)-N-[3-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: (2S)-2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: (2S)-4-(methylthio)-N-(3-morpholinosulfonylphenyl)-2-ureido-butyramide Formula: C16H24N4O5S2 MolecularWeight: 416.51556

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)N

InChI

InChI=1S/C16H24N4O5S2/c1-26-10-5-14(19-16(17)22)15(21)18-12-3-2-4-13(11-12)27(23,24)20-6-8-25-9-7-20/h2-4,11,14H,5-10H2,1H3,(H,18,21)(H3,17,19,22)/t14-/m0/s1