N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-fluorophenyl)-N-methyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-fluorophenyl)-N-methyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-fluorophenyl)-N-methyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-fluorophenyl)-N-methyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-fluorophenyl)-N-methyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(4-fluorophenyl)-N-methyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C3=CNC(=S)N3C4=CC=C(C=C4)F

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C3=CNC(=S)N3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2S/c1-3-26-14-17(29-20-7-5-4-6-18(20)26)13-25(2)21(28)19-12-24-22(30)27(19)16-10-8-15(23)9-11-16/h4-12,17H,3,13-14H2,1-2H3,(H,24,30)