N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-isobutyl-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-isobutyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C23H24N4O2S/c1-14(2)13-27-22(28)17-10-6-5-9-16(17)20(25-27)23(29)26(4)15(3)21-24-18-11-7-8-12-19(18)30-21/h5-12,14-15H,13H2,1-4H3/t15-/m1/s1