2-chloranyl-4-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-chloranyl-4-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-chloro-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-4-methylsulfonyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-chloro-4-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-chloro-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-mesyl-benzamide Formula: C20H21ClN2O3S4 MolecularWeight: 501.10534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H21ClN2O3S4/c1-12(2)27-8-9-28-20-23-17-7-4-13(10-18(17)29-20)22-19(24)15-6-5-14(11-16(15)21)30(3,25)26/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)