N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H18N4O2S/c1-10-6-7-13-15(8-10)25-18(19-13)20-16(23)9-14-11-4-2-3-5-12(11)17(24)22-21-14/h2-5,10H,6-9H2,1H3,(H,22,24)(H,19,20,23)/t10-/m0/s1