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

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-isopropylphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(p-cumenylthio)propionamide Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C(=O)NCCN(C)C)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC[C@H](C(=O)NCCN(C)C)NC(=O)C

InChI

InChI=1S/C18H29N3O2S/c1-13(2)15-6-8-16(9-7-15)24-12-17(20-14(3)22)18(23)19-10-11-21(4)5/h6-9,13,17H,10-12H2,1-5H3,(H,19,23)(H,20,22)/t17-/m1/s1