3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-methyl-1,3-benzothiazol-5-yl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-1,3-benzothiazol-5-yl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-methyl-1,3-benzothiazol-5-yl)propane-1-sulfonamide Formula: C18H17N3O2S4 MolecularWeight: 435.60648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O2S4/c1-12-19-15-11-13(7-8-17(15)25-12)21-27(22,23)10-4-9-24-18-20-14-5-2-3-6-16(14)26-18/h2-3,5-8,11,21H,4,9-10H2,1H3