(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-dimethylaminoethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-dimethylaminoethyl)propionamide Formula: C15H22BrN3O2S MolecularWeight: 388.32308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O2S/c1-11(20)18-14(15(21)17-7-8-19(2)3)10-22-13-6-4-5-12(16)9-13/h4-6,9,14H,7-8,10H2,1-3H3,(H,17,21)(H,18,20)/t14-/m1/s1