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

Systemtic Name: S-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl] ester Formula: C15H16BrN3O2S2 MolecularWeight: 414.34044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C15H16BrN3O2S2/c1-10(20)22-9-14(21)18-4-6-19(7-5-18)15-17-12-3-2-11(16)8-13(12)23-15/h2-3,8H,4-7,9H2,1H3