(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl (NE)-N'-azanyl-N-[1-(6-methylpyridin-3-yl)ethylidene]carbamimidothioate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl (NE)-N'-azanyl-N-[1-(6-methylpyridin-3-yl)ethylidene]carbamimidothioate Openeye Name: (1E)-3-amino-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-[1-(6-methyl-3-pyridyl)ethylidene]isothiourea CAS Name: (NE)-N'-amino-N-[1-(6-methyl-3-pyridinyl)ethylidene]carbamimidothioic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl (NE)-N'-amino-N-[1-(6-methylpyridin-3-yl)ethylidene]carbamimidothioate Traditional Name: (1E)-3-amino-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-[1-(6-methyl-3-pyridyl)ethylidene]isothiourea Formula: C18H19FN4O2S MolecularWeight: 374.432463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=NC(=NN)SCC2=C3C(=CC(=C2)F)COCO3)C

Isomeric SMILES

CC1=NC=C(C=C1)/C(=N/C(=N/N)/SCC2=C3C(=CC(=C2)F)COCO3)/C

InChI

InChI=1S/C18H19FN4O2S/c1-11-3-4-13(7-21-11)12(2)22-18(23-20)26-9-15-6-16(19)5-14-8-24-10-25-17(14)15/h3-7H,8-10,20H2,1-2H3/b22-12+,23-18-