N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4-cinnolinecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=NC5=CC=CC=C54

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=NC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O3S2/c27-21(16-13-23-26-17-5-2-1-4-15(16)17)24-14-6-7-18-19(12-14)31-22(25-18)30-11-8-20-28-9-3-10-29-20/h1-2,4-7,12-13,20H,3,8-11H2,(H,24,27)