1-[6-azanyl-5-[2,6-bis(fluoranyl)phenyl]carbonyl-4-butoxy-pyridin-2-yl]-3-phenyl-thiourea

Systemtic Name: 1-[6-azanyl-5-[2,6-bis(fluoranyl)phenyl]carbonyl-4-butoxy-pyridin-2-yl]-3-phenyl-thiourea Openeye Name: 1-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridyl]-3-phenyl-thiourea CAS Name: 1-[6-amino-4-butoxy-5-[(2,6-difluorophenyl)-oxomethyl]-2-pyridinyl]-3-phenylthiourea IUPAC Name: 1-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)pyridin-2-yl]-3-phenylthiourea Traditional Name: 1-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridyl]-3-phenyl-thiourea Formula: C23H22F2N4O2S MolecularWeight: 456.508186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC(=C1C(=O)C2=C(C=CC=C2F)F)N)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC(=NC(=C1C(=O)C2=C(C=CC=C2F)F)N)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H22F2N4O2S/c1-2-3-12-31-17-13-18(29-23(32)27-14-8-5-4-6-9-14)28-22(26)20(17)21(30)19-15(24)10-7-11-16(19)25/h4-11,13H,2-3,12H2,1H3,(H4,26,27,28,29,32)