N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-methyl-1,3-benzothiazol-6-yl)-3-propyl-phthalazine-1-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C20H18N4O2S/c1-3-10-24-20(26)15-7-5-4-6-14(15)18(23-24)19(25)22-13-8-9-16-17(11-13)27-12(2)21-16/h4-9,11H,3,10H2,1-2H3,(H,22,25)