1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(2-furylmethyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[3-(4-ethyl-1-piperazinyl)propyl]-1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[3-(4-ethylpiperazino)propyl]-1-(2-furfuryl)-3-(4-phenoxyphenyl)thiourea Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-2-29-17-19-30(20-18-29)15-7-16-31(22-26-10-6-21-32-26)27(34)28-23-11-13-25(14-12-23)33-24-8-4-3-5-9-24/h3-6,8-14,21H,2,7,15-20,22H2,1H3,(H,28,34)