(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methylphenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-chloro-4-methyl-phenyl)thio]-N-(2-dimethylaminoethyl)propionamide Formula: C23H30ClN3O2S MolecularWeight: 448.0212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O2S/c1-17-10-11-20(14-21(17)24)30-16-22(25-18(2)28)23(29)27(13-12-26(3)4)15-19-8-6-5-7-9-19/h5-11,14,22H,12-13,15-16H2,1-4H3,(H,25,28)/t22-/m1/s1