N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-butyl-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-butyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-butyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-butyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-butyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-butyl-6-keto-pyridazine-3-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N4O2S/c1-2-3-14-27-22(28)13-12-19(26-27)23(29)24-17-10-8-16(9-11-17)15-21-25-18-6-4-5-7-20(18)30-21/h4-13H,2-3,14-15H2,1H3,(H,24,29)