N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C21H20N4O3S/c1-4-28-13-9-10-16-17(11-13)29-21(22-16)23-19(26)18-14-7-5-6-8-15(14)20(27)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H,22,23,26)