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

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C18H13N5O3S/c19-16(25)15-10-5-1-2-6-11(10)17(26)23(22-15)9-14(24)21-18-20-12-7-3-4-8-13(12)27-18/h1-8H,9H2,(H2,19,25)(H,20,21,24)