N-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C19H29FN3S+ MolecularWeight: 350.517063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H28FN3S/c20-17-9-7-16(8-10-17)15-22-11-4-12-23(14-13-22)19(24)21-18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2,(H,21,24)/p+1