1-(azepan-1-yl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(azepan-1-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(azepan-1-yl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-azepanyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(azepan-1-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(azepan-1-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C14H18F3N3S MolecularWeight: 317.37303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N3S/c15-14(16,17)11-6-5-7-12(10-11)18-13(21)19-20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9H2,(H2,18,19,21)