1-[1,3-bis(6-ethyl-1-benzofuran-3-yl)propan-2-ylideneamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[1,3-bis(6-ethyl-1-benzofuran-3-yl)propan-2-ylideneamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[2-(6-ethylbenzofuran-3-yl)-1-[(6-ethylbenzofuran-3-yl)methyl]ethylidene]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[1,3-bis(6-ethyl-3-benzofuranyl)propan-2-ylideneamino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[1,3-bis(6-ethyl-1-benzofuran-3-yl)propan-2-ylideneamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[2-(6-ethylbenzofuran-3-yl)-1-[(6-ethylbenzofuran-3-yl)methyl]ethylidene]amino]-3-(2-fluorophenyl)thiourea Formula: C30H28FN3O2S MolecularWeight: 513.625623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=NNC(=S)NC3=CC=CC=C3F)CC4=COC5=C4C=CC(=C5)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=NNC(=S)NC3=CC=CC=C3F)CC4=COC5=C4C=CC(=C5)CC

InChI

InChI=1S/C30H28FN3O2S/c1-3-19-9-11-24-21(17-35-28(24)13-19)15-23(33-34-30(37)32-27-8-6-5-7-26(27)31)16-22-18-36-29-14-20(4-2)10-12-25(22)29/h5-14,17-18H,3-4,15-16H2,1-2H3,(H2,32,34,37)