3-butyl-N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-2-3-10-25-19(27)14-7-5-4-6-13(14)17(24-25)18(26)23-20-22-15-9-8-12(21)11-16(15)28-20/h4-9,11H,2-3,10H2,1H3,(H,22,23,26)