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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-1-(2-furylmethyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-1-(2-furfuryl)-3-(4-phenoxyphenyl)thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c32-26(27-22-12-14-24(15-13-22)31-23-9-4-3-5-10-23)29(21-25-11-8-20-30-25)19-18-28-16-6-1-2-7-17-28/h3-5,8-15,20H,1-2,6-7,16-19,21H2,(H,27,32)