3-(phenylsulfonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(phenylsulfonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-besyl-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C21H24N2O3S4 MolecularWeight: 480.68686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S4/c1-15(2)27-11-12-28-21-23-18-9-8-16(14-19(18)29-21)22-20(24)10-13-30(25,26)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H,22,24)