1-[2-(phenylmethylsulfanyl)ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C17H16F3N3OS2 MolecularWeight: 399.45365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H16F3N3OS2/c18-17(19,20)13-8-4-5-9-14(13)21-16(25)23-22-15(24)11-26-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,24)(H2,21,23,25)