N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C20H21N3O3S3/c24-17(13-28-18-4-1-2-8-21-18)22-14-5-6-15-16(12-14)29-20(23-15)27-11-7-19-25-9-3-10-26-19/h1-2,4-6,8,12,19H,3,7,9-11,13H2,(H,22,24)