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

Systemtic Name: N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Openeye Name: N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide CAS Name: N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-4-cinnolinecarboxamide IUPAC Name: N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Traditional Name: N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Formula: C22H16N4OS3 MolecularWeight: 448.58364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=N2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCC5=CSC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=N2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCC5=CSC=C5

InChI

InChI=1S/C22H16N4OS3/c27-21(17-12-23-26-18-4-2-1-3-16(17)18)24-15-5-6-19-20(11-15)30-22(25-19)29-10-8-14-7-9-28-13-14/h1-7,9,11-13H,8,10H2,(H,24,27)