[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O5S/c1-14(21(30)26-22-18(20(25)29)11-12-34-22)33-24(32)19-16-9-5-6-10-17(16)23(31)28(27-19)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H2,25,29)(H,26,30)