(2S)-2-acetamido-N-(2-dimethylaminoethyl)-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-isopropylphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-N-(phenylmethyl)-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(p-cumenylthio)propionamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC[C@H](C(=O)N(CCN(C)C)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C25H35N3O2S/c1-19(2)22-11-13-23(14-12-22)31-18-24(26-20(3)29)25(30)28(16-15-27(4)5)17-21-9-7-6-8-10-21/h6-14,19,24H,15-18H2,1-5H3,(H,26,29)/t24-/m1/s1