benzene; S-[3-[(4-ethanoylpiperazin-1-yl)amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: benzene; S-[3-[(4-ethanoylpiperazin-1-yl)amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[(4-acetylpiperazin-1-yl)amino]-2-methyl-3-oxo-propyl] ethanethioate; benzene CAS Name: benzene; ethanethioic acid S-[3-[(4-acetyl-1-piperazinyl)amino]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(4-acetylpiperazin-1-yl)amino]-2-methyl-3-oxopropyl] ethanethioate; benzene Traditional Name: benzene; ethanethioic acid S-[3-[(4-acetylpiperazino)amino]-3-keto-2-methyl-propyl] ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NN1CCN(CC1)C(=O)C.C1=CC=CC=C1

Isomeric SMILES

CC(CSC(=O)C)C(=O)NN1CCN(CC1)C(=O)C.C1=CC=CC=C1

InChI

InChI=1S/C12H21N3O3S.C6H6/c1-9(8-19-11(3)17)12(18)13-15-6-4-14(5-7-15)10(2)16;1-2-4-6-5-3-1/h9H,4-8H2,1-3H3,(H,13,18);1-6H