1-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(4-ethoxy-3-nitro-benzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(4-ethoxy-3-nitrobenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(4-ethoxy-3-nitro-benzoyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C17H17FN4O4S MolecularWeight: 392.404683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN4O4S/c1-2-26-15-8-5-12(9-14(15)22(24)25)16(23)20-21-17(27)19-10-11-3-6-13(18)7-4-11/h3-9H,2,10H2,1H3,(H,20,23)(H2,19,21,27)