2-acetamido-4-methyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-enamide

Systemtic Name: 2-acetamido-4-methyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-enamide Openeye Name: 2-acetamido-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-4-methyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-pentenamide IUPAC Name: 2-acetamido-4-methyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-enamide Traditional Name: 2-acetamido-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C20H27N3O2S3 MolecularWeight: 437.64228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=C)C)NC(=O)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=C)C)NC(=O)C

InChI

InChI=1S/C20H27N3O2S3/c1-12(2)10-17(21-14(5)24)19(25)22-15-6-7-16-18(11-15)28-20(23-16)27-9-8-26-13(3)4/h6-7,11,13,17H,1,8-10H2,2-5H3,(H,21,24)(H,22,25)