(2R)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-phenoxyphenyl)thio]propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCCN(C)C

InChI

InChI=1S/C21H27N3O3S/c1-16(25)23-20(21(26)22-13-14-24(2)3)15-28-19-11-9-18(10-12-19)27-17-7-5-4-6-8-17/h4-12,20H,13-15H2,1-3H3,(H,22,26)(H,23,25)/t20-/m0/s1