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

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(4-butylphenyl)thio]-N-(2-dimethylaminoethyl)propionamide Formula: C26H37N3O2S MolecularWeight: 455.65588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N(CCN(C)C)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N(CCN(C)C)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C26H37N3O2S/c1-5-6-10-22-13-15-24(16-14-22)32-20-25(27-21(2)30)26(31)29(18-17-28(3)4)19-23-11-8-7-9-12-23/h7-9,11-16,25H,5-6,10,17-20H2,1-4H3,(H,27,30)/t25-/m1/s1