N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C20H17N5O3S/c1-11(26)21-12-7-8-15-17(9-12)29-20(22-15)23-18(27)10-16-13-5-3-4-6-14(13)19(28)25(2)24-16/h3-9H,10H2,1-2H3,(H,21,26)(H,22,23,27)