S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxidanylidene-3-[(6-oxidanylidenepiperidin-2-yl)amino]propyl] ethanethioate

Systemtic Name: S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxidanylidene-3-[(6-oxidanylidenepiperidin-2-yl)amino]propyl] ethanethioate Openeye Name: S-[(2S)-2-(o-tolylmethyl)-3-oxo-3-[(6-oxo-2-piperidyl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxo-3-[(6-oxo-2-piperidinyl)amino]propyl] ester IUPAC Name: S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxo-3-[(6-oxopiperidin-2-yl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-keto-3-[(6-keto-2-piperidyl)amino]-2-(2-methylbenzyl)propyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)NC2CCCC(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C[C@H](CSC(=O)C)C(=O)NC2CCCC(=O)N2

InChI

InChI=1S/C18H24N2O3S/c1-12-6-3-4-7-14(12)10-15(11-24-13(2)21)18(23)20-16-8-5-9-17(22)19-16/h3-4,6-7,15-16H,5,8-11H2,1-2H3,(H,19,22)(H,20,23)/t15-,16?/m1/s1