1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-fluorophenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(2-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-fluorophenyl)-1-(2-thenyl)thiourea Formula: C20H27FN3S2+ MolecularWeight: 392.576883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CCC[NH+](CC1)CCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3S2/c21-18-9-3-4-10-19(18)22-20(25)24(16-17-8-7-15-26-17)14-13-23-11-5-1-2-6-12-23/h3-4,7-10,15H,1-2,5-6,11-14,16H2,(H,22,25)/p+1