N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O2S/c1-3-4-7-13-10-11-16-17(12-13)28-21(22-16)23-19(26)18-14-8-5-6-9-15(14)20(27)25(2)24-18/h5-6,8-12H,3-4,7H2,1-2H3,(H,22,23,26)