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

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)urea Openeye Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-fluorothiochroman-4-yl)urea CAS Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)urea IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)urea Traditional Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-(6-fluorothiochroman-4-yl)urea Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)NCCCC3=NC4=CC=CC=C4N3)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)NCCCC3=NC4=CC=CC=C4N3)C=C(C=C2)F

InChI

InChI=1S/C20H21FN4OS/c21-13-7-8-18-14(12-13)15(9-11-27-18)25-20(26)22-10-3-6-19-23-16-4-1-2-5-17(16)24-19/h1-2,4-5,7-8,12,15H,3,6,9-11H2,(H,23,24)(H2,22,25,26)