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

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-bromophenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-bromophenyl)thio]-N-(2-dimethylaminoethyl)propionamide Formula: C22H28BrN3O2S MolecularWeight: 478.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N(CCN(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)N(CCN(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H28BrN3O2S/c1-17(27)24-21(16-29-20-11-7-10-19(23)14-20)22(28)26(13-12-25(2)3)15-18-8-5-4-6-9-18/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,24,27)/t21-/m1/s1