3-[bis(propylsulfanyl)methyl]-5-methoxy-2-(phenoxymethyl)-2H-1,3-benzothiazole

Systemtic Name: 3-[bis(propylsulfanyl)methyl]-5-methoxy-2-(phenoxymethyl)-2H-1,3-benzothiazole Openeye Name: 3-[bis(propylsulfanyl)methyl]-5-methoxy-2-(phenoxymethyl)-2H-1,3-benzothiazole CAS Name: 3-[bis(propylthio)methyl]-5-methoxy-2-(phenoxymethyl)-2H-1,3-benzothiazole IUPAC Name: 3-[bis(propylsulfanyl)methyl]-5-methoxy-2-(phenoxymethyl)-2H-1,3-benzothiazole Traditional Name: 3-[bis(propylthio)methyl]-5-methoxy-2-(phenoxymethyl)-2H-1,3-benzothiazole Formula: C22H29NO2S3 MolecularWeight: 435.66616

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(N1C(SC2=C1C=C(C=C2)OC)COC3=CC=CC=C3)SCCC

Isomeric SMILES

CCCSC(N1C(SC2=C1C=C(C=C2)OC)COC3=CC=CC=C3)SCCC

InChI

InChI=1S/C22H29NO2S3/c1-4-13-26-22(27-14-5-2)23-19-15-18(24-3)11-12-20(19)28-21(23)16-25-17-9-7-6-8-10-17/h6-12,15,21-22H,4-5,13-14,16H2,1-3H3