1-(3-fluoranyl-4-methyl-phenyl)-3-(1H-pyrrol-2-ylcarbonylamino)thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(1H-pyrrol-2-ylcarbonylamino)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[[oxo(1H-pyrrol-2-yl)methyl]amino]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea Formula: C13H13FN4OS MolecularWeight: 292.331923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=CN2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=CN2)F

InChI

InChI=1S/C13H13FN4OS/c1-8-4-5-9(7-10(8)14)16-13(20)18-17-12(19)11-3-2-6-15-11/h2-7,15H,1H3,(H,17,19)(H2,16,18,20)