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

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-methylphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(p-tolylthio)propionamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N(CCN(C)C)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N(CCN(C)C)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C23H31N3O2S/c1-18-10-12-21(13-11-18)29-17-22(24-19(2)27)23(28)26(15-14-25(3)4)16-20-8-6-5-7-9-20/h5-13,22H,14-17H2,1-4H3,(H,24,27)/t22-/m1/s1