1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea

Systemtic Name: 1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea Openeye Name: 1-(6-fluorothiochroman-4-yl)-3-[3-(2-oxoazepan-1-yl)propyl]urea CAS Name: 1-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[3-(2-oxo-1-azepanyl)propyl]urea IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-(2-oxoazepan-1-yl)propyl]urea Traditional Name: 1-(6-fluorothiochroman-4-yl)-3-[3-(2-ketoazepan-1-yl)propyl]urea Formula: C19H26FN3O2S MolecularWeight: 379.492043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C19H26FN3O2S/c20-14-6-7-17-15(13-14)16(8-12-26-17)22-19(25)21-9-4-11-23-10-3-1-2-5-18(23)24/h6-7,13,16H,1-5,8-12H2,(H2,21,22,25)