1-[2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[[2-(butylthio)-6-methyl-4-pyrimidinyl]thio]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(2-butylsulfanyl-6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[[2-(butylthio)-6-methyl-pyrimidin-4-yl]thio]acetyl]amino]-3-phenyl-thiourea Formula: C18H23N5OS3 MolecularWeight: 421.60312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)SCC(=O)NNC(=S)NC2=CC=CC=C2)C

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)SCC(=O)NNC(=S)NC2=CC=CC=C2)C

InChI

InChI=1S/C18H23N5OS3/c1-3-4-10-26-18-19-13(2)11-16(21-18)27-12-15(24)22-23-17(25)20-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,22,24)(H2,20,23,25)