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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(4-methyl-1,3-benzothiazol-2-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=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

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