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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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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)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-2-32-17-12-13-20-21(14-17)33-25(26-20)27-23(30)22-18-10-6-7-11-19(18)24(31)29(28-22)15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,27,30)