3-[2-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4)C(=O)N

InChI

InChI=1S/C25H19N5O3S/c26-24(32)23-17-5-1-2-6-18(17)25(33)30(29-23)14-21(31)27-16-11-9-15(10-12-16)13-22-28-19-7-3-4-8-20(19)34-22/h1-12H,13-14H2,(H2,26,32)(H,27,31)