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

Systemtic Name: S-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl] ester Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H17N3O2S2/c1-11(19)21-10-14(20)17-6-8-18(9-7-17)15-16-12-4-2-3-5-13(12)22-15/h2-5H,6-10H2,1H3