4-[but-2-ynyl-[4-(1,3-thiazol-2-ylcarbonyl)phenyl]amino]benzenecarboximidamide

Systemtic Name: 4-[but-2-ynyl-[4-(1,3-thiazol-2-ylcarbonyl)phenyl]amino]benzenecarboximidamide Openeye Name: 4-[N-but-2-ynyl-4-(thiazole-2-carbonyl)anilino]benzamidine CAS Name: 4-[N-but-2-ynyl-4-[oxo(2-thiazolyl)methyl]anilino]benzenecarboximidamide IUPAC Name: 4-[N-but-2-ynyl-4-(1,3-thiazole-2-carbonyl)anilino]benzenecarboximidamide Traditional Name: 4-[N-but-2-ynyl-4-(thiazole-2-carbonyl)anilino]benzamidine Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(C1=CC=C(C=C1)C(=O)C2=NC=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC#CCN(C1=CC=C(C=C1)C(=O)C2=NC=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H18N4OS/c1-2-3-13-25(18-10-6-16(7-11-18)20(22)23)17-8-4-15(5-9-17)19(26)21-24-12-14-27-21/h4-12,14H,13H2,1H3,(H3,22,23)