1-(4-bromanyl-3-methyl-phenyl)-3-[(2-phenoxypyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[(2-phenoxypyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[oxo-(2-phenoxy-3-pyridinyl)methyl]amino]thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[(2-phenoxynicotinoyl)amino]thiourea Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NNC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NNC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)Br

InChI

InChI=1S/C20H17BrN4O2S/c1-13-12-14(9-10-17(13)21)23-20(28)25-24-18(26)16-8-5-11-22-19(16)27-15-6-3-2-4-7-15/h2-12H,1H3,(H,24,26)(H2,23,25,28)