1-(1,3-benzodioxol-5-yl)-3-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(4-fluorobenzyl)thio]acetyl]amino]thiourea Formula: C17H16FN3O3S2 MolecularWeight: 393.455643

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)F

InChI

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