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

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-ethylphenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-ethylphenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(2-ethylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-ethylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-ethylphenyl)-1-(2-furfuryl)thiourea Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H31N3OS/c1-2-19-10-5-6-12-21(19)23-22(27)25(18-20-11-9-17-26-20)16-15-24-13-7-3-4-8-14-24/h5-6,9-12,17H,2-4,7-8,13-16,18H2,1H3,(H,23,27)/p+1