N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-formamido-4-methylsulfanyl-butanamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-formamido-4-methylsulfanyl-butanamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-formamido-4-methylsulfanyl-butanamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-formamido-4-(methylthio)butanamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-formamido-4-methylsulfanylbutanamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-formamido-4-(methylthio)butyramide Formula: C19H25N3O4S3 MolecularWeight: 455.6145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3)NC=O

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3)NC=O

InChI

InChI=1S/C19H25N3O4S3/c1-27-9-5-15(20-12-23)18(24)21-13-3-4-14-16(11-13)29-19(22-14)28-10-6-17-25-7-2-8-26-17/h3-4,11-12,15,17H,2,5-10H2,1H3,(H,20,23)(H,21,24)