3-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N3O3S2/c22-13-14-3-1-4-15(11-14)20(25)23-16-5-6-17-18(12-16)29-21(24-17)28-10-7-19-26-8-2-9-27-19/h1,3-6,11-12,19H,2,7-10H2,(H,23,25)