N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H18ClN5O4S MolecularWeight: 519.95952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H18ClN5O4S/c1-35-19-11-10-14(12-17(19)26)31-24(34)16-7-3-2-6-15(16)22(30-31)23(33)27-13-21(32)29-25-28-18-8-4-5-9-20(18)36-25/h2-12H,13H2,1H3,(H,27,33)(H,28,29,32)