1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea Traditional Name: 1-[[2-(amylthio)nicotinoyl]amino]-3-(4-bromo-2,6-dimethyl-phenyl)thiourea Formula: C20H25BrN4OS2 MolecularWeight: 481.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C20H25BrN4OS2/c1-4-5-6-10-28-19-16(8-7-9-22-19)18(26)24-25-20(27)23-17-13(2)11-15(21)12-14(17)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,24,26)(H2,23,25,27)