2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(4-keto-3H-phthalazin-1-yl)methyl]acetamide Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O2S2/c23-16(10-25-18-20-13-7-3-4-8-15(13)26-18)19-9-14-11-5-1-2-6-12(11)17(24)22-21-14/h1-8H,9-10H2,(H,19,23)(H,22,24)