1-[4-(5-bromanyl-2-methoxy-phenyl)-1-butyl-2-oxidanylidene-pyridin-3-yl]-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]urea

Systemtic Name: 1-[4-(5-bromanyl-2-methoxy-phenyl)-1-butyl-2-oxidanylidene-pyridin-3-yl]-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]urea Openeye Name: 1-[4-(5-bromo-2-methoxy-phenyl)-1-butyl-2-oxo-3-pyridyl]-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]urea CAS Name: 1-[4-(5-bromo-2-methoxyphenyl)-1-butyl-2-oxo-3-pyridinyl]-3-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]urea IUPAC Name: 1-[4-(5-bromo-2-methoxyphenyl)-1-butyl-2-oxopyridin-3-yl]-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]urea Traditional Name: 1-[4-(5-bromo-2-methoxy-phenyl)-1-butyl-2-keto-3-pyridyl]-3-[6-methyl-2,4-bis(methylthio)-3-pyridyl]urea Formula: C25H29BrN4O3S2 MolecularWeight: 577.55676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(N=C(C=C2SC)C)SC)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(N=C(C=C2SC)C)SC)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C25H29BrN4O3S2/c1-6-7-11-30-12-10-17(18-14-16(26)8-9-19(18)33-3)21(24(30)31)28-25(32)29-22-20(34-4)13-15(2)27-23(22)35-5/h8-10,12-14H,6-7,11H2,1-5H3,(H2,28,29,32)