N-(2,6-dimethylheptan-4-yl)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: N-(2,6-dimethylheptan-4-yl)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: 6-fluoro-N-(1-isobutyl-3-methyl-butyl)thiochroman-4-amine CAS Name: N-(2,6-dimethylheptan-4-yl)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: N-(2,6-dimethylheptan-4-yl)-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: (6-fluorothiochroman-4-yl)-(1-isobutyl-3-methyl-butyl)amine Formula: C18H28FNS MolecularWeight: 309.485023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)NC1CCSC2=C1C=C(C=C2)F

Isomeric SMILES

CC(C)CC(CC(C)C)NC1CCSC2=C1C=C(C=C2)F

InChI

InChI=1S/C18H28FNS/c1-12(2)9-15(10-13(3)4)20-17-7-8-21-18-6-5-14(19)11-16(17)18/h5-6,11-13,15,17,20H,7-10H2,1-4H3