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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-ethyl-4-keto-phthalazine-1-carboxamide 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)C3=NN(C(=O)C4=CC=CC=C43)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-3-5-8-14-11-12-17-18(13-14)29-22(23-17)24-20(27)19-15-9-6-7-10-16(15)21(28)26(4-2)25-19/h6-7,9-13H,3-5,8H2,1-2H3,(H,23,24,27)