S-[2-[[8-(1,3-benzothiazol-6-ylamino)-8-oxidanylidene-octyl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[8-(1,3-benzothiazol-6-ylamino)-8-oxidanylidene-octyl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[8-(1,3-benzothiazol-6-ylamino)-8-oxo-octyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[8-(1,3-benzothiazol-6-ylamino)-8-oxooctyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[8-(1,3-benzothiazol-6-ylamino)-8-oxooctyl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[8-(1,3-benzothiazol-6-ylamino)-8-keto-octyl]amino]-2-keto-ethyl] ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCCCCCCCC(=O)NC1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CC(=O)SCC(=O)NCCCCCCCC(=O)NC1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C19H25N3O3S2/c1-14(23)26-12-19(25)20-10-6-4-2-3-5-7-18(24)22-15-8-9-16-17(11-15)27-13-21-16/h8-9,11,13H,2-7,10,12H2,1H3,(H,20,25)(H,22,24)