N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide CAS Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-propylbenzenesulfonamide Traditional Name: N-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide Formula: C18H18N2O2S3 MolecularWeight: 390.54272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCC4=C3C=CS4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCC4=C3C=CS4

InChI

InChI=1S/C18H18N2O2S3/c1-2-3-12-4-6-13(7-5-12)25(21,22)20-18-19-17-14-10-11-23-15(14)8-9-16(17)24-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)