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

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(2-diethylaminoethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(2-diethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(2-diethylaminoethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(2-diethylaminoethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(2-diethylaminoethyl)propionamide Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCCN(CC)CC)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCCN(CC)CC)NC(=O)C

InChI

InChI=1S/C21H35N3O2S/c1-5-8-9-18-10-12-19(13-11-18)27-16-20(23-17(4)25)21(26)22-14-15-24(6-2)7-3/h10-13,20H,5-9,14-16H2,1-4H3,(H,22,26)(H,23,25)/t20-/m1/s1