3-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[[(4S)-thiochroman-4-yl]amino]ethyl]phthalazine-1-carboxamide CAS Name: 3-[2-[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[[(4S)-thiochroman-4-yl]amino]ethyl]phthalazine-1-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C20H18N4O3S/c21-19(26)18-12-5-1-2-6-13(12)20(27)24(23-18)11-17(25)22-15-9-10-28-16-8-4-3-7-14(15)16/h1-8,15H,9-11H2,(H2,21,26)(H,22,25)/t15-/m0/s1