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

Systemtic Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N5O2S/c1-3-4-13-27-22(29)16-10-6-5-9-15(16)19(26-27)20(28)25-24-14(2)21-23-17-11-7-8-12-18(17)30-21/h5-12H,3-4,13H2,1-2H3,(H,25,28)/b24-14-