N-(6-butyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(methylthio)nicotinamide Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C18H19N3OS2/c1-3-4-6-12-8-9-14-15(11-12)24-18(20-14)21-16(22)13-7-5-10-19-17(13)23-2/h5,7-11H,3-4,6H2,1-2H3,(H,20,21,22)