N-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-N-ethyl-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-N-ethyl-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-N-ethyl-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl]-N-ethyl-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethyl-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl]-N-ethyl-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H22N4O5S/c1-3-22(10-15(23)19-12-8-9-28(26,27)11-12)18(25)16-13-6-4-5-7-14(13)17(24)21(2)20-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,23)/t12-/m0/s1