S-[3-[[(2R)-4-methylsulfanyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-[[(2R)-4-methylsulfanyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-[[(1R)-3-methylsulfanyl-1-(piperidine-1-carbonyl)propyl]amino]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[(2R)-4-(methylthio)-1-oxo-1-(1-piperidinyl)butan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-[[(2R)-4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl]amino]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-[[(1R)-3-(methylthio)-1-(piperidine-1-carbonyl)propyl]amino]propyl] ester Formula: C22H32N2O3S2 MolecularWeight: 436.63108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)N2CCCCC2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)N2CCCCC2

InChI

InChI=1S/C22H32N2O3S2/c1-17(25)29-16-19(15-18-9-5-3-6-10-18)21(26)23-20(11-14-28-2)22(27)24-12-7-4-8-13-24/h3,5-6,9-10,19-20H,4,7-8,11-16H2,1-2H3,(H,23,26)/t19?,20-/m1/s1