3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N5O2S/c1-21-19(26)18-13-7-3-4-8-14(13)20(27)25(23-18)12-24(2)11-17-22-15-9-5-6-10-16(15)28-17/h3-10H,11-12H2,1-2H3,(H,21,26)