N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-3-methyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-3-methyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-3-methyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]-3-methyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-4-keto-3-methyl-phthalazine-1-carbohydrazide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N6O3S/c1-11(21-20-22-14-9-5-6-10-15(14)30-20)17(27)23-24-18(28)16-12-7-3-4-8-13(12)19(29)26(2)25-16/h3-11H,1-2H3,(H,21,22)(H,23,27)(H,24,28)