N-(1,3-benzothiazol-2-yl)-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(1-isoquinolylthio)acetamide Formula: C18H13N3OS2 MolecularWeight: 351.44532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3OS2/c22-16(21-18-20-14-7-3-4-8-15(14)24-18)11-23-17-13-6-2-1-5-12(13)9-10-19-17/h1-10H,11H2,(H,20,21,22)