1-[3,5-bis(trifluoromethyl)phenyl]-3-isoquinolin-1-yl-thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-isoquinolin-1-yl-thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1-isoquinolyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1-isoquinolinyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-isoquinolin-1-ylthiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1-isoquinolyl)thiourea Formula: C18H11F6N3S MolecularWeight: 415.355459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6N3S/c19-17(20,21)11-7-12(18(22,23)24)9-13(8-11)26-16(28)27-15-14-4-2-1-3-10(14)5-6-25-15/h1-9H,(H2,25,26,27,28)