1-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-butyl-thiourea

Systemtic Name: 1-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-butyl-thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-butyl-thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-butylthiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-butylthiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-butyl-thiourea Formula: C13H15F6N3S MolecularWeight: 359.333719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H15F6N3S/c1-2-3-4-20-11(23)22-21-10-6-8(12(14,15)16)5-9(7-10)13(17,18)19/h5-7,21H,2-4H2,1H3,(H2,20,22,23)