3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[1-(4-mesylphenyl)ethyl]-N-methyl-propionamide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)C(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)C(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O3S3/c1-14(15-8-10-16(11-9-15)28(3,24)25)22(2)19(23)12-13-26-20-21-17-6-4-5-7-18(17)27-20/h4-11,14H,12-13H2,1-3H3