1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-(4-fluorobenzyl)thiourea Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O3S/c18-13-4-1-11(2-5-13)10-19-17(25)21-20-16(22)12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9H,7-8,10H2,(H,20,22)(H2,19,21,25)