1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(2-keto-5-nitro-indol-3-yl)amino]thiourea Formula: C16H12FN5O3S MolecularWeight: 373.361583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])F

InChI

InChI=1S/C16H12FN5O3S/c17-10-3-1-9(2-4-10)8-18-16(26)21-20-14-12-7-11(22(24)25)5-6-13(12)19-15(14)23/h1-7H,8H2,(H2,18,21,26)(H,19,20,23)