S-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]ethyl] ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CSC(=O)C

InChI

InChI=1S/C16H19N3O2S2/c1-11-3-4-13-14(9-11)23-16(17-13)19-7-5-18(6-8-19)15(21)10-22-12(2)20/h3-4,9H,5-8,10H2,1-2H3