(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-(3-morpholinopropyl)propionamide Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)NCCCN2CCOCC2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)NCCCN2CCOCC2)NC(=O)C)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-14-4-5-16(12-17(14)20)27-13-18(22-15(2)24)19(25)21-6-3-7-23-8-10-26-11-9-23/h4-5,12,18H,3,6-11,13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m1/s1