S-[3-azanyl-2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-azanyl-2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[2-[4-(4-acetylphenyl)piperazin-1-yl]-3-amino-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(4-acetylphenyl)-1-piperazinyl]-3-amino-2-methyl-3-oxopropyl] ester IUPAC Name: S-[2-[4-(4-acetylphenyl)piperazin-1-yl]-3-amino-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(4-acetylphenyl)piperazino]-3-amino-3-keto-2-methyl-propyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(C)(CSC(=O)C)C(=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(C)(CSC(=O)C)C(=O)N

InChI

InChI=1S/C18H25N3O3S/c1-13(22)15-4-6-16(7-5-15)20-8-10-21(11-9-20)18(3,17(19)24)12-25-14(2)23/h4-7H,8-12H2,1-3H3,(H2,19,24)