1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-(2-fluorophenyl)thiourea Formula: C17H16FN3O3S2 MolecularWeight: 393.455643

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C17H16FN3O3S2/c18-12-3-1-2-4-13(12)19-17(25)21-20-16(22)10-26-11-5-6-14-15(9-11)24-8-7-23-14/h1-6,9H,7-8,10H2,(H,20,22)(H2,19,21,25)