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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

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