1-[3-(azepan-1-ium-1-yl)propyl]-3-(2-chlorophenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2-chlorophenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2-chlorophenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-(2-chlorophenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2-chlorophenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2-chlorophenyl)-1-(2-furfuryl)thiourea Formula: C21H29ClN3OS+ MolecularWeight: 406.99246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H28ClN3OS/c22-19-10-3-4-11-20(19)23-21(27)25(17-18-9-7-16-26-18)15-8-14-24-12-5-1-2-6-13-24/h3-4,7,9-11,16H,1-2,5-6,8,12-15,17H2,(H,23,27)/p+1