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

Systemtic Name: S-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl] ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CSC(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CSC(=O)C

InChI

InChI=1S/C17H21N3O2S2/c1-3-13-4-5-14-15(10-13)24-17(18-14)20-8-6-19(7-9-20)16(22)11-23-12(2)21/h4-5,10H,3,6-9,11H2,1-2H3