1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chlorophenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chlorophenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chlorophenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(4-chlorophenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chlorophenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chlorophenyl)-1-(2-furfuryl)thiourea Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3OS/c21-17-7-9-18(10-8-17)22-20(26)24(16-19-6-5-15-25-19)14-13-23-11-3-1-2-4-12-23/h5-10,15H,1-4,11-14,16H2,(H,22,26)/p+1