3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C20H17N5O4S/c1-2-29-11-7-8-14-15(9-11)30-20(22-14)23-16(26)10-25-19(28)13-6-4-3-5-12(13)17(24-25)18(21)27/h3-9H,2,10H2,1H3,(H2,21,27)(H,22,23,26)