S-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazino]ethyl] ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)CSC(=O)C

InChI

InChI=1S/C17H21N3O3S2/c1-11-4-5-13(23-3)15-16(11)25-17(18-15)20-8-6-19(7-9-20)14(22)10-24-12(2)21/h4-5H,6-10H2,1-3H3