3-methyl-N-[2-oxidanylidene-2-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide

Systemtic Name: 3-methyl-N-[2-oxidanylidene-2-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide Openeye Name: N-[2-[[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[2-oxo-2-[[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[2-oxo-2-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide Traditional Name: N-[2-[[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]-3-methyl-butyramide Formula: C19H27N3O2S3 MolecularWeight: 425.63158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCSC(C)C

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCSC(C)C

InChI

InChI=1S/C19H27N3O2S3/c1-12(2)9-17(23)20-11-18(24)21-14-5-6-15-16(10-14)27-19(22-15)26-8-7-25-13(3)4/h5-6,10,12-13H,7-9,11H2,1-4H3,(H,20,23)(H,21,24)