3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-furylmethyl)-N-(2-thienylmethyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-furanylmethyl)-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(2-furfuryl)-N-(2-thenyl)propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)N(CC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)N(CC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C21H19N3O4S/c25-19(23(13-15-5-3-11-28-15)14-16-6-4-12-29-16)9-10-24-21(27)18-8-2-1-7-17(18)20(26)22-24/h1-8,11-12H,9-10,13-14H2,(H,22,26)