3-[1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-piperidyl]-N-(m-tolyl)propanamide CAS Name: 3-[1-[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-[(2S)-2-acetamido-4-(methylthio)butanoyl]-4-piperidyl]-N-(m-tolyl)propionamide Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C22H33N3O3S/c1-16-5-4-6-19(15-16)24-21(27)8-7-18-9-12-25(13-10-18)22(28)20(11-14-29-3)23-17(2)26/h4-6,15,18,20H,7-14H2,1-3H3,(H,23,26)(H,24,27)/t20-/m0/s1