N-benzo[e][1,3]benzothiazol-2-yl-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C22H16N4O3S/c27-18(11-12-26-21(29)16-8-4-3-7-15(16)20(28)25-26)23-22-24-19-14-6-2-1-5-13(14)9-10-17(19)30-22/h1-10H,11-12H2,(H,25,28)(H,23,24,27)