N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)hexyl]ethanesulfonamide

Systemtic Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)hexyl]ethanesulfonamide Openeye Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d]thiazol-2-ylamino)hexyl]ethanesulfonamide CAS Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d]thiazol-2-ylamino)hexyl]ethanesulfonamide IUPAC Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)hexyl]ethanesulfonamide Traditional Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d]thiazol-2-ylamino)hexyl]ethanesulfonamide Formula: C19H27N3O2S3 MolecularWeight: 425.63158

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCCCCCCNC1=NC2=C(S1)CCSC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)NCCCCCCNC1=NC2=C(S1)CCSC3=CC=CC=C32

InChI

InChI=1S/C19H27N3O2S3/c1-2-27(23,24)21-13-8-4-3-7-12-20-19-22-18-15-9-5-6-10-16(15)25-14-11-17(18)26-19/h5-6,9-10,21H,2-4,7-8,11-14H2,1H3,(H,20,22)