N-[3-(aminomethyl)phenyl]-2-azanyl-4-fluoranyl-5-(1-methylimidazol-2-yl)sulfanyl-benzamide

Systemtic Name: N-[3-(aminomethyl)phenyl]-2-azanyl-4-fluoranyl-5-(1-methylimidazol-2-yl)sulfanyl-benzamide Openeye Name: 2-amino-N-[3-(aminomethyl)phenyl]-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-benzamide CAS Name: 2-amino-N-[3-(aminomethyl)phenyl]-4-fluoro-5-[(1-methyl-2-imidazolyl)thio]benzamide IUPAC Name: 2-amino-N-[3-(aminomethyl)phenyl]-4-fluoro-5-(1-methylimidazol-2-yl)sulfanylbenzamide Traditional Name: 2-amino-N-[3-(aminomethyl)phenyl]-4-fluoro-5-[(1-methylimidazol-2-yl)thio]benzamide Formula: C18H18FN5OS MolecularWeight: 371.431823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C(=C2)C(=O)NC3=CC=CC(=C3)CN)N)F

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C(=C2)C(=O)NC3=CC=CC(=C3)CN)N)F

InChI

InChI=1S/C18H18FN5OS/c1-24-6-5-22-18(24)26-16-8-13(15(21)9-14(16)19)17(25)23-12-4-2-3-11(7-12)10-20/h2-9H,10,20-21H2,1H3,(H,23,25)