1-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)NNC(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)NNC(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O2S/c23-17-8-5-14(6-9-17)12-24-22(29)26-25-20(27)11-16-13-28-19-10-7-15-3-1-2-4-18(15)21(16)19/h1-10,13H,11-12H2,(H,25,27)(H2,24,26,29)