1-[2-(4-chlorophenyl)ethyl]-3-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(4-fluoro-3-nitro-benzoyl)amino]thiourea CAS Name: 1-[2-(4-chlorophenyl)ethyl]-3-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(4-fluoro-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-3-[(4-fluoro-3-nitro-benzoyl)amino]thiourea Formula: C16H14ClFN4O3S MolecularWeight: 396.823763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)NNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)NNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClFN4O3S/c17-12-4-1-10(2-5-12)7-8-19-16(26)21-20-15(23)11-3-6-13(18)14(9-11)22(24)25/h1-6,9H,7-8H2,(H,20,23)(H2,19,21,26)