2,2-dimethyl-N-[4-methyl-5-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]thiophen-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-methyl-5-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]thiophen-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[4-methyl-5-[[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-2-thienyl]propanamide CAS Name: 2,2-dimethyl-N-[4-methyl-5-[[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]-2-thiophenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-methyl-5-[[(3-methyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]thiophen-2-yl]propanamide Traditional Name: N-[5-[[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]carbamoyl]-4-methyl-2-thienyl]-2,2-dimethyl-propionamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H23N5O4S/c1-11-10-14(22-20(30)21(2,3)4)31-16(11)18(28)24-23-17(27)15-12-8-6-7-9-13(12)19(29)26(5)25-15/h6-10H,1-5H3,(H,22,30)(H,23,27)(H,24,28)