N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(1,2-dithiolan-4-yl)pentanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(1,2-dithiolan-4-yl)pentanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(dithiolan-4-yl)pentanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4-dithiolanyl)pentanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(dithiolan-4-yl)pentanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(dithiolan-4-yl)valeramide Formula: C21H22N2OS3 MolecularWeight: 414.60718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSS1)CCCCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(CSS1)CCCCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS3/c24-20(8-4-1-5-15-13-25-26-14-15)22-17-11-9-16(10-12-17)21-23-18-6-2-3-7-19(18)27-21/h2-3,6-7,9-12,15H,1,4-5,8,13-14H2,(H,22,24)