(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(3-morpholinopropyl)propionamide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NCCCN2CCOCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NCCCN2CCOCC2

InChI

InChI=1S/C18H26BrN3O3S/c1-14(23)21-17(13-26-16-5-2-4-15(19)12-16)18(24)20-6-3-7-22-8-10-25-11-9-22/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,20,24)(H,21,23)/t17-/m1/s1