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

Systemtic Name: 1-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C16H19F3N4O2S MolecularWeight: 388.40787

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H19F3N4O2S/c17-16(18,19)11-5-4-6-12(9-11)20-15(26)22-21-13(24)10-23-8-3-1-2-7-14(23)25/h4-6,9H,1-3,7-8,10H2,(H,21,24)(H2,20,22,26)