N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O2S/c1-3-4-7-14-10-11-17-19(12-14)29-22(23-17)24-20(27)13-18-15-8-5-6-9-16(15)21(28)26(2)25-18/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,23,24,27)