S-[2-methyl-3-[(2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-[(2S)-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[2-methyl-3-[(2S)-2-[4-(4-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-[(2S)-2-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-3-oxopropyl] ester IUPAC Name: S-[2-methyl-3-[(2S)-2-[4-(4-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-2-methyl-3-[(2S)-2-(4-p-toluoylpiperazine-1-carbonyl)pyrrolidino]propyl] ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CCCN3C(=O)C(C)CSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)C(C)CSC(=O)C

InChI

InChI=1S/C23H31N3O4S/c1-16-6-8-19(9-7-16)22(29)24-11-13-25(14-12-24)23(30)20-5-4-10-26(20)21(28)17(2)15-31-18(3)27/h6-9,17,20H,4-5,10-15H2,1-3H3/t17?,20-/m0/s1