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

Systemtic Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O2S/c1-3-12-26-21(28)15-9-5-4-8-14(15)18(25-26)19(27)24-23-13(2)20-22-16-10-6-7-11-17(16)29-20/h4-11H,3,12H2,1-2H3,(H,24,27)/b23-13-