N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N4O2S/c24-18-13-7-2-1-6-12(13)17(22-23-18)19(25)20-11-5-10-16-21-14-8-3-4-9-15(14)26-16/h1-4,6-9H,5,10-11H2,(H,20,25)(H,23,24)