4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)-1-oxopropyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[(2S)-2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC(C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)NC(=O)C

InChI

InChI=1S/C25H32N4O3S/c1-17-5-6-18(2)20(15-17)16-23(26-19(3)30)24(31)28-11-13-29(14-12-28)25(32)27-21-7-9-22(33-4)10-8-21/h5-10,15,23H,11-14,16H2,1-4H3,(H,26,30)(H,27,32)/t23-/m0/s1