(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-(2-dimethylaminoethyl)propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCN(C)C

InChI

InChI=1S/C22H29N3O3S/c1-17(26)24-21(22(27)23-13-14-25(2)3)16-29-20-11-9-19(10-12-20)28-15-18-7-5-4-6-8-18/h4-12,21H,13-16H2,1-3H3,(H,23,27)(H,24,26)/t21-/m1/s1