1-butyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-butyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]thiourea Openeye Name: 1-butyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]thiourea CAS Name: 1-butyl-3-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-butyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]thiourea Traditional Name: 1-butyl-3-[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]thiourea Formula: C19H25N5OS2 MolecularWeight: 403.5647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C19H25N5OS2/c1-4-5-10-20-18(26)24-23-17(25)16-8-6-15(7-9-16)12-27-19-21-13(2)11-14(3)22-19/h6-9,11H,4-5,10,12H2,1-3H3,(H,23,25)(H2,20,24,26)