1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C17H15FN4O2S2 MolecularWeight: 390.455003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O2S2/c18-12-7-5-11(6-8-12)9-19-16(25)22-21-15(23)10-26-17-20-13-3-1-2-4-14(13)24-17/h1-8H,9-10H2,(H,21,23)(H2,19,22,25)